8-(2''-acetoxy-3''-hydroxy-3''-methylbutoxy)psoralen - Compound Card

8-(2''-acetoxy-3''-hydroxy-3''-methylbutoxy)psoralen

Select a section from the left sidebar

8-(2''-acetoxy-3''-hydroxy-3''-methylbutoxy)psoralen

Structure
Zoomed Structure
  • Family: Plantae - Apiaceae
  • Kingdom: Plantae
  • Class: Coumarin
Canonical Smiles CC(=O)OC(C(O)(C)C)COc1c2occc2cc2c1oc(=O)cc2
InChI InChI=1S/C18H18O7/c1-10(19)24-13(18(2,3)21)9-23-17-15-12(6-7-22-15)8-11-4-5-14(20)25-16(11)17/h4-8,13,21H,9H2,1-3H3
InChIKey TZADBBMPNXMTBQ-UHFFFAOYSA-N
Formula C18H18O7
HBA 7
HBD 1
MW 346.34
Rotatable Bonds 5
TPSA 99.11
LogP 2.62
Number Rings 3
Number Aromatic Rings 3
Heavy Atom Count 25
Formal Charge 0
Fraction CSP3 0.33
Exact Mass 346.11
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Ammi majus Apiaceae Plantae 48026

Showing of synonyms

  • Elgamal MHA, Shalaby NMM, et al. (1993). Coumarins and coumarin glucosides from the fruits of Ammi majus. Phytochemistry,1993,34(3),819-823. [View]
Pubchem: 13845714
Nmrshiftdb2: 60081768

No compound-protein relationship available.

Structure

SMILES: c1coc(c12)cc3c(c2)ccc(=O)o3

Level: 0

Mol. Weight: 346.34 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.59
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.51
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-1.94

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.12
Plasma Protein Binding
67.14
Steady State Volume of Distribution
-

Metabolism

Breast Cancer Resistance Protein
Inhibitor
CYP 1A2 Inhibitor
Inhibitor
CYP 1A2 Substrate
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
12.35
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Safe
Bioconcentration Factor
1.71
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Safe
Maximum Tolerated Dose
-0.12
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
5.97
Micronucleos
Toxic
NR-AhR
Toxic
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
1.14
Rat (Acute)
2.47
Rat (Chronic Oral)
2.09
Fathead Minnow
4.67
Respiratory Disease
Safe
Skin Sensitisation
Safe
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
441.0
Hydration Free Energy
-10.65
Log(D) at pH=7.4
1.54
Log(P)
1.94
Log S
-4.23
Log(Vapor Pressure)
-7.8
Melting Point
121.17
pKa Acid
6.38
pKa Basic
5.52
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.9613
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.9613
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.9338
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.9338
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 4 0.9230
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 4 0.9230
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.9181
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.9181
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 3 0.9121
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 3 0.9121
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.9014
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.9014
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 4 0.8910
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 4 0.8910
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial Q0QF01 SDHA_PIG Sus scrofa 3 0.8904
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial Q0QF01 SDHA_PIG Sus scrofa 3 0.8904
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8901
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8901
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8622
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8622
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.8606
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.8606
NADH:flavin oxidoreductase Sye1 Q8EEC8 Q8EEC8_SHEON Shewanella oneidensis 3 0.8577
NADH:flavin oxidoreductase Sye1 Q8EEC8 Q8EEC8_SHEON Shewanella oneidensis 3 0.8577
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 3 0.8411
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 3 0.8411
2,7-dihydroxy-5-methyl-1-naphthoate 7-O-methyltransferase Q84HC8 NCSB1_STRCZ Streptomyces carzinostaticus 3 0.8405
2,7-dihydroxy-5-methyl-1-naphthoate 7-O-methyltransferase Q84HC8 NCSB1_STRCZ Streptomyces carzinostaticus 3 0.8405
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8382
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8382
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 4 0.8380
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 4 0.8380
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.8336
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.8336
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Q9UDY8 MALT1_HUMAN Homo sapiens 3 0.8323
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Q9UDY8 MALT1_HUMAN Homo sapiens 3 0.8323
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8258
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8258
Flavin-dependent monooxygenase Q93L51 TETX_BACT4 Bacteroides thetaiotaomicron 3 0.8243
Flavin-dependent monooxygenase Q93L51 TETX_BACT4 Bacteroides thetaiotaomicron 3 0.8243
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 3 0.8193
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 3 0.8193
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8189
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8189
Thymidine kinase P0DTH5 KITH_HHV11 Human herpesvirus 1 3 0.8144
Thymidine kinase P0DTH5 KITH_HHV11 Human herpesvirus 1 3 0.8144
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 3 0.8139
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 3 0.8139
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.8090
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.8090
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8038
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8038
Carminomycin 4-O-methyltransferase DnrK Q06528 DNRK_STRPE Streptomyces peucetius 3 0.8009
Carminomycin 4-O-methyltransferase DnrK Q06528 DNRK_STRPE Streptomyces peucetius 3 0.8009
Calmodulin-2 P0DP24 CALM2_HUMAN Homo sapiens 3 0.7997
Calmodulin-2 P0DP24 CALM2_HUMAN Homo sapiens 3 0.7997
Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase Q46381 BPHB_COMTE Comamonas testosteroni 3 0.7975
Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase Q46381 BPHB_COMTE Comamonas testosteroni 3 0.7975
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7947
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7947
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7936
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7936
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7918
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7918
Biphenyl dioxygenase subunit alpha P37333 BPHA_PARXL Paraburkholderia xenovorans 3 0.7911
Biphenyl dioxygenase subunit alpha P37333 BPHA_PARXL Paraburkholderia xenovorans 3 0.7911
Tubulin alpha chain D0VWZ0 D0VWZ0_SHEEP Ovis aries 3 0.7908
Tubulin alpha chain D0VWZ0 D0VWZ0_SHEEP Ovis aries 3 0.7908
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7888
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7888
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 2 0.7872
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 2 0.7872
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.7863
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.7863
Genome polyprotein Q2YHF0 POLG_DEN4T Dengue virus type 4 3 0.7849
Genome polyprotein Q2YHF0 POLG_DEN4T Dengue virus type 4 3 0.7849
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 3 0.7838
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 3 0.7838
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7824
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7824
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7813
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7813
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7768
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7768
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7739
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7739
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7737
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7737
Peptidyl-prolyl cis-trans isomerase FKBP5 Q13451 FKBP5_HUMAN Homo sapiens 3 0.7728
Peptidyl-prolyl cis-trans isomerase FKBP5 Q13451 FKBP5_HUMAN Homo sapiens 3 0.7728
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7726
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7726
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7721
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7721
Beta sliding clamp P0A988 DPO3B_ECOLI Escherichia coli 2 0.7713
Beta sliding clamp P0A988 DPO3B_ECOLI Escherichia coli 2 0.7713
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 3 0.7697
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 3 0.7697
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7684
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7684
Phosphodiesterase Q53I60 Q53I60_TRYCR Trypanosoma cruzi 3 0.7670
Phosphodiesterase Q53I60 Q53I60_TRYCR Trypanosoma cruzi 3 0.7670
Protein ppBat Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron VPI-5482 2 0.7664
Protein ppBat Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron VPI-5482 2 0.7664
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7640
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7640
Lethal(3)malignant brain tumor-like protein 1 Q9Y468 LMBL1_HUMAN Homo sapiens 3 0.7635
Lethal(3)malignant brain tumor-like protein 1 Q9Y468 LMBL1_HUMAN Homo sapiens 3 0.7635
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7619
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7619
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7616
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7616
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7612
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7612
F420-dependent NADP reductase O29370 FNO_ARCFU Archaeoglobus fulgidus 3 0.7587
F420-dependent NADP reductase O29370 FNO_ARCFU Archaeoglobus fulgidus 3 0.7587
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7578
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7578
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7577
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7577
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 2 0.7573
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 2 0.7573
Angiotensin-converting enzyme 2 Q9BYF1 ACE2_HUMAN Homo sapiens 2 0.7568
Angiotensin-converting enzyme 2 Q9BYF1 ACE2_HUMAN Homo sapiens 2 0.7568
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 4 0.7546
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 4 0.7546
Acetylcholinesterase P22303 ACES_HUMAN Homo sapiens 3 0.7543
Acetylcholinesterase P22303 ACES_HUMAN Homo sapiens 3 0.7543
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7538
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7538
Interleukin-2 P60568 IL2_HUMAN Homo sapiens 2 0.7534
Interleukin-2 P60568 IL2_HUMAN Homo sapiens 2 0.7534
Polyribonucleotide nucleotidyltransferase A7ZS61 PNP_ECO24 Escherichia coli O139:H28 3 0.7525
Polyribonucleotide nucleotidyltransferase A7ZS61 PNP_ECO24 Escherichia coli O139:H28 3 0.7525
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 2 0.7519
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 2 0.7519
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.7494
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.7494
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 3 0.7482
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 3 0.7482
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7479
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7479
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7478
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7478
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 3 0.7475
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 3 0.7475
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7468
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7468
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.7458
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.7458
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7455
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7455
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7452
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7452
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7442
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7442
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7440
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7440
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7434
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7434
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7431
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7431
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 2 0.7418
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 2 0.7418
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7417
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7417
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 3 0.7413
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 3 0.7413
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7406
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7406
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7405
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7405
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 3 0.7403
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 3 0.7403
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7390
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7390
Lactoperoxidase A0A452E9Y6 PERL_CAPHI Capra hircus 2 0.7386
Lactoperoxidase A0A452E9Y6 PERL_CAPHI Capra hircus 2 0.7386
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7380
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7380
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 3 0.7376
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 3 0.7376
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7374
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7374
Glutathione S-transferase P P09211 GSTP1_HUMAN Homo sapiens 2 0.7369
Glutathione S-transferase P P09211 GSTP1_HUMAN Homo sapiens 2 0.7369
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7348
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7348
Protein S100-A13 Q99584 S10AD_HUMAN Homo sapiens 2 0.7337
Protein S100-A13 Q99584 S10AD_HUMAN Homo sapiens 2 0.7337
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7326
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7326
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7314
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7314
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7311
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7311
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.7287
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.7287
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7263
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7263
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7251
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7251
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 2 0.7249
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 2 0.7249
Serine/threonine-protein kinase VRK1 Q99986 VRK1_HUMAN Homo sapiens 3 0.7248
Serine/threonine-protein kinase VRK1 Q99986 VRK1_HUMAN Homo sapiens 3 0.7248
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7235
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7235
Lactoperoxidase P80025 PERL_BOVIN Bos taurus 2 0.7231
Lactoperoxidase P80025 PERL_BOVIN Bos taurus 2 0.7231
Pentalenic acid synthase Q825I8 CYP28_STRAW Streptomyces avermitilis 2 0.7228
Pentalenic acid synthase Q825I8 CYP28_STRAW Streptomyces avermitilis 2 0.7228
Casein kinase I isoform gamma-2 P78368 KC1G2_HUMAN Homo sapiens 3 0.7223
Casein kinase I isoform gamma-2 P78368 KC1G2_HUMAN Homo sapiens 3 0.7223
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7220
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7220
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7220
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7220
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.7190
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.7190
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7189
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7189
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7187
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 3 0.7187
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7187
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 3 0.7187
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7186
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7186
DNA ligase P43813 DNLJ_HAEIN Haemophilus influenzae 4 0.7183
DNA ligase P43813 DNLJ_HAEIN Haemophilus influenzae 4 0.7183
Putative HMP/thiamine-binding protein YkoF O34911 YKOF_BACSU Bacillus subtilis 2 0.7167
Putative HMP/thiamine-binding protein YkoF O34911 YKOF_BACSU Bacillus subtilis 2 0.7167
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7156
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7156
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7156
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7156
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform O02697 PK3CG_PIG Sus scrofa 3 0.7155
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7155
Caffeoyl-CoA O-methyltransferase Q40313 CAMT_MEDSA Medicago sativa 3 0.7155
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform O02697 PK3CG_PIG Sus scrofa 3 0.7155
Caffeoyl-CoA O-methyltransferase Q40313 CAMT_MEDSA Medicago sativa 3 0.7155
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7155
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7154
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7154
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.7152
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.7152
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 2 0.7141
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 2 0.7141
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.7136
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.7136
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 2 0.7124
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 2 0.7124
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7118
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7118
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7106
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7106
Cholinesterase P06276 CHLE_HUMAN Homo sapiens 2 0.7097
Cholinesterase P06276 CHLE_HUMAN Homo sapiens 2 0.7097
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7092
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7092
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 2 0.7083
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 2 0.7083
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.7083
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.7083
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7082
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7082
Bifunctional dihydrofolate reductase-thymidylate synthase P13922 DRTS_PLAFK Plasmodium falciparum 3 0.7077
Bifunctional dihydrofolate reductase-thymidylate synthase P13922 DRTS_PLAFK Plasmodium falciparum 3 0.7077
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7075
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7075
Phospholipase A2, membrane associated P14555 PA2GA_HUMAN Homo sapiens 2 0.7068
Phospholipase A2, membrane associated P14555 PA2GA_HUMAN Homo sapiens 2 0.7068
Mitogen-activated protein kinase 1 P63086 MK01_RAT Rattus norvegicus 3 0.7058
Mitogen-activated protein kinase 1 P63086 MK01_RAT Rattus norvegicus 3 0.7058
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7051
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7051
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7048
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7048
Cytochrome P450 2C9 P11712 CP2C9_HUMAN Homo sapiens 2 0.7043
Cytochrome P450 2C9 P11712 CP2C9_HUMAN Homo sapiens 2 0.7043
4-hydroxyphenylacetate 3-monooxygenase Q8YHT7 Q8YHT7_BRUME Brucella melitensis biotype 1 2 0.7030
4-hydroxyphenylacetate 3-monooxygenase Q8YHT7 Q8YHT7_BRUME Brucella melitensis biotype 1 2 0.7030
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 2 0.7029
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 2 0.7029
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7027
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7027
Diguanylate phosphodiesterase A6T8V8 A6T8V8_KLEP7 Klebsiella pneumoniae subsp. pneumoniae 3 0.7026
Diguanylate phosphodiesterase A6T8V8 A6T8V8_KLEP7 Klebsiella pneumoniae subsp. pneumoniae 3 0.7026
Plasma membrane ATPase Q42932 Q42932_NICPL Nicotiana plumbaginifolia 2 0.7009
Plasma membrane ATPase Q42932 Q42932_NICPL Nicotiana plumbaginifolia 2 0.7009

Download SDF