Squalene - Compound Card

Squalene

Select a section from the left sidebar

Squalene

Structure
Zoomed Structure
  • Family: Plantae - Asteraceae-Compositae
  • Kingdom: Plantae
  • Class: Terpenoid
    • Subclass: Triterpene
Canonical Smiles C/C(=C\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
Formula C30H50
HBA 0
HBD 0
MW 410.73
Rotatable Bonds 15
TPSA 0.0
LogP 10.6
Number Rings 0
Number Aromatic Rings 0
Heavy Atom Count 30
Formal Charge 0
Fraction CSP3 0.6
Exact Mass 410.39
Number of Lipinski Rule Violations 1
# Species Family Kingdom NCBI Taxonomy ID
1 Xanthium spinosum Asteraceae-Compositae Plantae 1053410

Showing of synonyms

  • Abdei-Mogib M, Dawidar AM, et al. (1991). Xanthanolides from Xanthium spinosum. Phytochemistry,1991,30(10),3461-3462. [View]
Pubchem: 638072
Kegg Ligand: C00751
Chebi: 15440
Nmrshiftdb2: 10016443
Metabolights: MTBLC15440
Drugbank: DB11460
Pdb Ligand: SQL
CPRiL: 9437

No scaffolds available.

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.76
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.7
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Substrate
Skin Permeability
-4.0

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.61
Plasma Protein Binding
40.49
Steady State Volume of Distribution
-

Metabolism

Breast Cancer Resistance Protein
Inhibitor
CYP 1A2 Inhibitor
Inhibitor
CYP 1A2 Substrate
Non-Substrate
CYP 2C19 Inhibitor
Non-Inhibitor
CYP 2C19 Substrate
Non-Substrate
CYP 2C9 Inhibitor
Non-Inhibitor
CYP 2C9 Substrate
Non-Substrate
CYP 2D6 Inhibitor
Non-Inhibitor
CYP 2D6 Substrate
Non-Substrate
CYP 3A4 Inhibitor
Non-Inhibitor
CYP 3A4 Substrate
Non-Substrate
OATP1B1
Non-Inhibitor
OATP1B3
Non-Inhibitor

Excretion

Clearance
0.84
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
3.59
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
0.05
Liver Injury II
Safe
hERG Blockers
Safe
Daphnia Maga
8.12
Micronucleos
Safe
NR-AhR
Safe
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Safe
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
-3.33
Rat (Acute)
1.73
Rat (Chronic Oral)
2.31
Fathead Minnow
7.35
Respiratory Disease
Toxic
Skin Sensitisation
Toxic
SR-ARE
Toxic
SR-ATAD5
Safe
SR-HSE
Toxic
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
399.25
Hydration Free Energy
-3.26
Log(D) at pH=7.4
5.2
Log(P)
12.02
Log S
-6.14
Log(Vapor Pressure)
-5.58
Melting Point
11.22
pKa Acid
13.21
pKa Basic
8.03
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Rhodopsin P02699 OPSD_BOVIN Bos taurus 3 0.9837
Rhodopsin P02699 OPSD_BOVIN Bos taurus 3 0.9837
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 3 0.9694
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 3 0.9694
Retinol-binding protein 1 P02696 RET1_RAT Rattus norvegicus 3 0.9469
Retinol-binding protein 1 P02696 RET1_RAT Rattus norvegicus 3 0.9469
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9446
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9446
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.9418
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.9418
Vitamin D(3) 25-hydroxylase C4B644 CPVDH_PSEAH Pseudonocardia autotrophica 3 0.9410
Vitamin D(3) 25-hydroxylase C4B644 CPVDH_PSEAH Pseudonocardia autotrophica 3 0.9410
Bacteriorhodopsin P02945 BACR_HALSA Halobacterium salinarum 3 0.9235
Bacteriorhodopsin P02945 BACR_HALSA Halobacterium salinarum 3 0.9235
Cholesterol side-chain cleavage enzyme, mitochondrial P05108 CP11A_HUMAN Homo sapiens 3 0.9225
Cholesterol side-chain cleavage enzyme, mitochondrial P05108 CP11A_HUMAN Homo sapiens 3 0.9225
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9183
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9183
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 3 0.9147
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 3 0.9147
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9120
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9120
Cartilage oligomeric matrix protein P35444 COMP_RAT Rattus norvegicus 3 0.9088
Cartilage oligomeric matrix protein P35444 COMP_RAT Rattus norvegicus 3 0.9088
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.9070
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.9070
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8920
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8920
Retinol dehydratase Q26490 Q26490_SPOFR Spodoptera frugiperda 3 0.8899
Retinol dehydratase Q26490 Q26490_SPOFR Spodoptera frugiperda 3 0.8899
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 3 0.8550
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 3 0.8550
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8518
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8518
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.8517
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.8517
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.8401
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.8401
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 3 0.8378
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 3 0.8378
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8362
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8362
Retinaldehyde-binding protein 1 P12271 RLBP1_HUMAN Homo sapiens 3 0.8353
Retinaldehyde-binding protein 1 P12271 RLBP1_HUMAN Homo sapiens 3 0.8353
Beta-elicitin cryptogein P15570 ELIB_PHYCR Phytophthora cryptogea 3 0.8305
Beta-elicitin cryptogein P15570 ELIB_PHYCR Phytophthora cryptogea 3 0.8305
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.8289
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.8289
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.8268
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.8268
Thyroid hormone receptor alpha P04625 THA_CHICK Gallus gallus 3 0.8252
Thyroid hormone receptor alpha P04625 THA_CHICK Gallus gallus 3 0.8252
Abscisic acid receptor PYL10 Q8H1R0 PYL10_ARATH Arabidopsis thaliana 3 0.8247
Abscisic acid receptor PYL10 Q8H1R0 PYL10_ARATH Arabidopsis thaliana 3 0.8247
Lanosterol synthase P48449 ERG7_HUMAN Homo sapiens 3 0.8194
Lanosterol synthase P48449 ERG7_HUMAN Homo sapiens 3 0.8194
Putative cytochrome P450 120 Q59990 CP120_SYNY3 Synechocystis sp 3 0.8193
Putative cytochrome P450 120 Q59990 CP120_SYNY3 Synechocystis sp 3 0.8193
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8190
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8190
Hemolymph juvenile hormone binding protein Q9U556 Q9U556_BOMMO Bombyx mori 3 0.8185
Hemolymph juvenile hormone binding protein Q9U556 Q9U556_BOMMO Bombyx mori 3 0.8185
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 3 0.8181
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 3 0.8181
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.8176
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.8176
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.8175
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.8175
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8164
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8164
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.8160
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.8160
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8155
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8155
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.8153
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.8153
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 3 0.8147
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 3 0.8147
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8142
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8142
Japanin M1MR49 M1MR49_RHIAP Rhipicephalus appendiculatus 3 0.8111
Japanin M1MR49 M1MR49_RHIAP Rhipicephalus appendiculatus 3 0.8111
Retinol-binding protein 1 P09455 RET1_HUMAN Homo sapiens 3 0.8086
Retinol-binding protein 1 P09455 RET1_HUMAN Homo sapiens 3 0.8086
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.8062
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.8062
Retinaldehyde-binding protein 1 P12271 RLBP1_HUMAN Homo sapiens 3 0.8062
Retinaldehyde-binding protein 1 P12271 RLBP1_HUMAN Homo sapiens 3 0.8062
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.8054
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.8054
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.8050
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.8050
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.8050
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.8050
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8045
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8045
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.8032
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.8032
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.8025
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.8025
Retinol-binding protein 1 P02696 RET1_RAT Rattus norvegicus 3 0.8019
Retinol-binding protein 1 P02696 RET1_RAT Rattus norvegicus 3 0.8019
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.8002
Retinoic acid receptor RXR Q8T5C6 RXR_BIOGL Biomphalaria glabrata 3 0.8002
Retinoic acid receptor RXR Q8T5C6 RXR_BIOGL Biomphalaria glabrata 3 0.8002
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.8002
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7982
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7982
Cellular retinol-binding protein type II Q8UVG6 Q8UVG6_DANRE Danio rerio 3 0.7982
Cellular retinol-binding protein type II Q8UVG6 Q8UVG6_DANRE Danio rerio 3 0.7982
3-alpha-hydroxysteroid dehydrogenase P23457 DIDH_RAT Rattus norvegicus 2 0.7973
3-alpha-hydroxysteroid dehydrogenase P23457 DIDH_RAT Rattus norvegicus 2 0.7973
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7970
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7970
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7963
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7963
Nuclear receptor ROR-alpha P35398 RORA_HUMAN Homo sapiens 4 0.7957
Nuclear receptor ROR-alpha P35398 RORA_HUMAN Homo sapiens 4 0.7957
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7951
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7951
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7949
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7949
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7944
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7944
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7937
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7937
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7934
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7934
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7929
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7929
Nuclear receptor coactivator 2 Q15596 NCOA2_HUMAN Homo sapiens 3 0.7928
Nuclear receptor coactivator 2 Q15596 NCOA2_HUMAN Homo sapiens 3 0.7928
Oxysterols receptor LXR-beta P55055 NR1H2_HUMAN Homo sapiens 3 0.7924
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7924
Oxysterols receptor LXR-beta P55055 NR1H2_HUMAN Homo sapiens 3 0.7924
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7924
Retinoic acid receptor RXR-alpha P28700 RXRA_MOUSE Mus musculus 3 0.7919
Retinoic acid receptor RXR-alpha P28700 RXRA_MOUSE Mus musculus 3 0.7919
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7909
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7909
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7907
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7907
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 2 0.7898
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 2 0.7898
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7896
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7896
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7889
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7889
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7888
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7888
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.7882
Retinol-binding protein 2 P50120 RET2_HUMAN Homo sapiens 3 0.7882
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7880
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7880
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7880
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7880
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7872
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7872
Retinol-binding protein 1 P09455 RET1_HUMAN Homo sapiens 3 0.7861
Retinol-binding protein 1 P09455 RET1_HUMAN Homo sapiens 3 0.7861
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7857
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7857
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7856
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7856
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7853
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7853
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7853
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7853
Steroid 21-hydroxylase P08686 CP21A_HUMAN Homo sapiens 2 0.7850
Steroid 21-hydroxylase P08686 CP21A_HUMAN Homo sapiens 2 0.7850
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7844
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7844
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7842
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7842
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.7838
Protein BRASSINOSTEROID INSENSITIVE 1 O22476 BRI1_ARATH Arabidopsis thaliana 3 0.7838
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 3 0.7834
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 3 0.7834
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7829
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7829
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7825
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7825
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7821
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7821
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7814
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7814
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7798
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7798
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7780
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7780
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7775
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7775
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 2 0.7774
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 2 0.7774
Retinol-binding protein 4 P02753 RET4_HUMAN Homo sapiens 3 0.7772
Retinol-binding protein 4 P02753 RET4_HUMAN Homo sapiens 3 0.7772
Steroid 17-alpha-hydroxylase/17,20 lyase P05093 CP17A_HUMAN Homo sapiens 2 0.7770
Steroid 17-alpha-hydroxylase/17,20 lyase P05093 CP17A_HUMAN Homo sapiens 2 0.7770
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7761
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7761
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7758
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7758
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7756
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7756
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7756
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7756
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 2 0.7755
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 2 0.7755
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7754
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7754
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7748
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7748
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7747
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7747
Lanosterol 14-alpha-demethylase Q385E8 Q385E8_TRYB2 Trypanosoma brucei brucei 3 0.7740
Lanosterol 14-alpha-demethylase Q385E8 Q385E8_TRYB2 Trypanosoma brucei brucei 3 0.7740
Fatty acid-binding protein 10-A, liver basic Q9I8L5 FA10A_DANRE Danio rerio 2 0.7732
Fatty acid-binding protein 10-A, liver basic Q9I8L5 FA10A_DANRE Danio rerio 2 0.7732
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7725
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7725
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 2 0.7721
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 2 0.7721
Rhodopsin P02699 OPSD_BOVIN Bos taurus 2 0.7716
Rhodopsin P02699 OPSD_BOVIN Bos taurus 2 0.7716
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7715
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7715
Alcohol dehydrogenase 1C P00326 ADH1G_HUMAN Homo sapiens 2 0.7711
Alcohol dehydrogenase 1C P00326 ADH1G_HUMAN Homo sapiens 2 0.7711
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7702
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7702
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 2 0.7698
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 2 0.7698
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7692
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7692
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7689
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7689
Trichodiene synthase P13513 TRI5_FUSSP Fusarium sporotrichioides 2 0.7687
Trichodiene synthase P13513 TRI5_FUSSP Fusarium sporotrichioides 2 0.7687
Retinoic acid receptor beta P10826 RARB_HUMAN Homo sapiens 3 0.7684
Retinoic acid receptor beta P10826 RARB_HUMAN Homo sapiens 3 0.7684
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 2 0.7683
Beta-lactoglobulin P02754 LACB_BOVIN Bos taurus 2 0.7683
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7682
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7682
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7677
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7677
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7675
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7675
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7674
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7674
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7674
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7674
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7673
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7673
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7673
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7673
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7672
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7672
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7671
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7671
Gastrotropin Q6IMW5 Q6IMW5_DANRE Danio rerio 2 0.7666
Gastrotropin Q6IMW5 Q6IMW5_DANRE Danio rerio 2 0.7666
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7665
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7665
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 2 0.7657
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 2 0.7657
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 2 0.7651
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 2 0.7651
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7651
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7651
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7648
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7648
Retinol-binding protein 2 P06768 RET2_RAT Rattus norvegicus 3 0.7648
Retinol-binding protein 2 P06768 RET2_RAT Rattus norvegicus 3 0.7648
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7646
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7646
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7645
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7645
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7644
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7644
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7642
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7642
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7630
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7630
Cellular retinoic acid-binding protein 2 P29373 RABP2_HUMAN Homo sapiens 2 0.7629
Cellular retinoic acid-binding protein 2 P29373 RABP2_HUMAN Homo sapiens 2 0.7629
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7626
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7626
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7613
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7613
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7597
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7597
Beta-elicitin cinnamomin P15569 ELIB_PHYCI Phytophthora cinnamomi 3 0.7574
Beta-elicitin cinnamomin P15569 ELIB_PHYCI Phytophthora cinnamomi 3 0.7574
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7551
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7551
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7530
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7530
NPC intracellular cholesterol transporter 1 O15118 NPC1_HUMAN Homo sapiens 3 0.7529
NPC intracellular cholesterol transporter 1 O15118 NPC1_HUMAN Homo sapiens 2 0.7529
NPC intracellular cholesterol transporter 1 O15118 NPC1_HUMAN Homo sapiens 2 0.7529
NPC intracellular cholesterol transporter 1 O15118 NPC1_HUMAN Homo sapiens 3 0.7529
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7525
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7525
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7521
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7521
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 2 0.7520
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 2 0.7520
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7495
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7495
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7492
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7492
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7491
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7491
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7482
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7482
Lanosterol 14-alpha demethylase CYP51 P10614 CP51_YEAST Saccharomyces cerevisiae 3 0.7476
Lanosterol 14-alpha demethylase CYP51 P10614 CP51_YEAST Saccharomyces cerevisiae 3 0.7476
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 2 0.7475
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 2 0.7475
Cartilage oligomeric matrix protein Q9R0G6 COMP_MOUSE Mus musculus 3 0.7471
Cartilage oligomeric matrix protein Q9R0G6 COMP_MOUSE Mus musculus 3 0.7471
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 2 0.7467
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 2 0.7467
Cholesterol side-chain cleavage enzyme, mitochondrial P00189 CP11A_BOVIN Bos taurus 3 0.7457
Cholesterol side-chain cleavage enzyme, mitochondrial P00189 CP11A_BOVIN Bos taurus 3 0.7457
Retinol-binding protein 2 P06768 RET2_RAT Rattus norvegicus 3 0.7441
Retinol-binding protein 2 P06768 RET2_RAT Rattus norvegicus 3 0.7441
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 2 0.7403
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 2 0.7403
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7402
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7402
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7388
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7388
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7381
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7381
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7371
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7371
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7350
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7350
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7341
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7341
Chloramphenicol acetyltransferase P62577 CAT_ECOLX Escherichia coli 3 0.7330
Chloramphenicol acetyltransferase P62577 CAT_ECOLX Escherichia coli 3 0.7330
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7327
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 3 0.7327
Retinoic acid receptor gamma P13631 RARG_HUMAN Homo sapiens 3 0.7287
Retinoic acid receptor gamma P13631 RARG_HUMAN Homo sapiens 3 0.7287
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7255
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7255
Camphor 5-monooxygenase P00183 CPXA_PSEPU Pseudomonas putida 3 0.7253
Camphor 5-monooxygenase P00183 CPXA_PSEPU Pseudomonas putida 3 0.7253
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7251
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7251
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.7245
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.7245
Methyl-branched lipid omega-hydroxylase P9WPP3 CP124_MYCTU Mycobacterium tuberculosis 3 0.7236
Methyl-branched lipid omega-hydroxylase P9WPP3 CP124_MYCTU Mycobacterium tuberculosis 3 0.7236
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7221
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7221
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.7214
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.7214
Nuclear receptor ROR-alpha P35398 RORA_HUMAN Homo sapiens 3 0.7192
Nuclear receptor ROR-alpha P35398 RORA_HUMAN Homo sapiens 3 0.7192
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7182
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7182
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7178
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7178
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.7177
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.7177
Gastrotropin P51161 FABP6_HUMAN Homo sapiens 2 0.7168
Gastrotropin P51161 FABP6_HUMAN Homo sapiens 2 0.7168
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7146
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7146
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.7145
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.7145
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7141
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7141
Endoplasmin, putative Q8I0V4 Q8I0V4_PLAF7 Plasmodium falciparum 3 0.7136
Endoplasmin, putative Q8I0V4 Q8I0V4_PLAF7 Plasmodium falciparum 3 0.7136
Hemolymph juvenile hormone binding protein Q9U556 Q9U556_BOMMO Bombyx mori 3 0.7105
Hemolymph juvenile hormone binding protein Q9U556 Q9U556_BOMMO Bombyx mori 3 0.7105
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7088
Vitamin D3 receptor P13053 VDR_RAT Rattus norvegicus 3 0.7088
Epoxide hydrolase Q41415 Q41415_SOLTU Solanum tuberosum 2 0.7075
Epoxide hydrolase Q41415 Q41415_SOLTU Solanum tuberosum 2 0.7075
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.7064
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.7064
Vitamin D3 receptor A Q9PTN2 VDRA_DANRE Danio rerio 3 0.7015
Vitamin D3 receptor A Q9PTN2 VDRA_DANRE Danio rerio 3 0.7015

Download SDF