Calodenone - Compound Card

Calodenone

Select a section from the left sidebar

Calodenone

Structure
Zoomed Structure
  • Family: Plantae - Ochnaceae
  • Kingdom: Plantae
  • Class: Flavonoid
    • Subclass: Isoflavone
Canonical Smiles COc1ccc(c(c1)O)C(=O)C(c1coc2c(c1=O)ccc(c2)O)C(c1ccc(cc1)O)c1ccc(cc1)O
InChI InChI=1S/C31H24O8/c1-38-22-11-13-23(26(35)15-22)31(37)29(25-16-39-27-14-21(34)10-12-24(27)30(25)36)28(17-2-6-19(32)7-3-17)18-4-8-20(33)9-5-18/h2-16,28-29,32-35H,1H3
InChIKey PPUYQVKBSDIARR-UHFFFAOYSA-N
Formula C31H24O8
HBA 8
HBD 4
MW 524.53
Rotatable Bonds 7
TPSA 137.43
LogP 5.42
Number Rings 5
Number Aromatic Rings 5
Heavy Atom Count 39
Formal Charge 0
Fraction CSP3 0.1
Exact Mass 524.15
Number of Lipinski Rule Violations 2
# Species Family Kingdom NCBI Taxonomy ID
1 Ochna kirkii Ochnaceae Plantae 2699567

Showing of synonyms

  • Kalenga TM, Ndoile MM, et al. (2021). Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii. Fitoterapia,2021, 151(), 104857. [View] [PubMed]
Pubchem: 162909747
Nmrshiftdb2: 60051407

No compound-protein relationship available.

Structure

SMILES: c1ccccc1C(=O)C(C(c2ccccc2)c3ccccc3)c(c4=O)coc(c45)cccc5

Level: 3

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1C(=O)C(Cc2ccccc2)c(c3=O)coc(c34)cccc4

Level: 2

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1C(c2ccccc2)Cc(c3=O)coc(c34)cccc4

Level: 2

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1C(=O)CC(c2ccccc2)c3ccccc3

Level: 2

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1C(=O)Cc(c2=O)coc(c23)cccc3

Level: 1

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1CCc(c2=O)coc(c23)cccc3

Level: 1

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1C(=O)CCc2ccccc2

Level: 1

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1Cc2ccccc2

Level: 1

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1cccc(c12)occc2=O

Level: 0

Mol. Weight: 524.53 g/mol

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 524.53 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-5.77
Human Oral Bioavailability 20%
Non-Bioavailable
Human Intestinal Absorption
Non-Absorbed
Madin-Darby Canine Kidney
-4.960
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
1.87

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Non-Penetrable
Fraction Unbound (Human)
1.720
Plasma Protein Binding
90.92
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
6.800
Organic Cation Transporter 2
Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
1.650
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Toxic
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
1.070
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
4.870
Micronucleos
Toxic
NR-AhR
Safe
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Toxic
NR-ER-LBD
Toxic
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
-3370.790
Rat (Acute)
2.340
Rat (Chronic Oral)
3.060
Fathead Minnow
18.190
Respiratory Disease
Safe
Skin Sensitisation
Safe
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Toxic
SR-p53
Toxic

General Properties

Boiling Point
584.200
Hydration Free Energy
-3.050
Log(D) at pH=7.4
3.810
Log(P)
4.72
Log S
-6.57
Log(Vapor Pressure)
-9.38
Melting Point
246.45
pKa Acid
7.54
pKa Basic
5.37
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9471
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 3 0.9426
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.9392
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.9360
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9354
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.9177
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.9174
Nuclear receptor subfamily 4immunitygroup A member 1 P22736 NR4A1_HUMAN Homo sapiens 3 0.9174
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 4 0.9168
Geranylgeranyl transferase type-2 subunit alpha Q08602 PGTA_RAT Rattus norvegicus 3 0.9161
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.9120
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9061
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.9046
Nitric oxide synthase 1 P29476 NOS1_RAT Rattus norvegicus 3 0.9005
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.8979
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8911
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q4WP27 Q4WP27_ASPFU Aspergillus fumigatus 3 0.8876
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 3 0.8818
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 3 0.8814
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q4WP27 Q4WP27_ASPFU Aspergillus fumigatus 3 0.8811
Streptogramin A acetyltransferase P50870 VATD_ENTFC Enterococcus faecium 3 0.8795
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.8791
Lactoperoxidase A0A452E9Y6 PERL_CAPHI Capra hircus 3 0.8786
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial Q0QF01 SDHA_PIG Sus scrofa 3 0.8770
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 4 0.8756
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.8753
HTH-type transcriptional regulator QacR P0A0N3 QACR_STAAM Staphylococcus aureus 3 0.8732
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.8710
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 3 0.8666
Protein S100-A13 Q99584 S10AD_HUMAN Homo sapiens 3 0.8588
Ras-related protein Ral-B P11234 RALB_HUMAN Homo sapiens 3 0.8585
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8579
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8495
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.8487
Serpin domain-containing protein H0ZQY2 H0ZQY2_TAEGU Taeniopygia guttata 3 0.8470
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.8458
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.8386
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 3 0.8378
Histone deacetylase 4 P56524 HDAC4_HUMAN Homo sapiens 3 0.8346
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8341
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8308
Calmodulin P62157 CALM_BOVIN Bos taurus 3 0.8279
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8192
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8183
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 4 0.8173
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.8131
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8108
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 4 0.8093
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8074
L-lactate dehydrogenase A chain P04642 LDHA_RAT Rattus norvegicus 3 0.8070
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.8045
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 4 0.8024
Sterol 14alpha-demethylase P9WPP9 CP51_MYCTU Mycobacterium tuberculosis 3 0.7994
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7966
Protease O38896 O38896_9HIV1 Human immunodeficiency virus 1 3 0.7956
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 4 0.7935
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7925
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.7920
Xylose isomerase P24300 XYLA_STRRU Streptomyces rubiginosus 3 0.7895
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.7893
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7861
Catechol O-methyltransferase P22734 COMT_RAT Rattus norvegicus 3 0.7860
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7836
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 4 0.7828
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7813
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7807
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 3 0.7799
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 4 0.7763
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 4 0.7753
Botulinum neurotoxin type A P0DPI0 BXA1_CLOBO Clostridium botulinum 3 0.7752
Glucose-1-phosphate thymidylyltransferase Q9HU22 Q9HU22_PSEAE Pseudomonas aeruginosa 3 0.7745
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform O02697 PK3CG_PIG Sus scrofa 5 0.7726
Thymidylate synthase P0A886 TYSY_ECO57 Escherichia coli O157:H7 3 0.7716
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7678
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 4 0.7674
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7669
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.7662
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7661
Tyrosine-protein kinase Lck P06239 LCK_HUMAN Homo sapiens 4 0.7651
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.7643
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7619
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7617
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.7615
Nucleoside 2-deoxyribosyltransferase Q8RLY5 Q8RLY5_LACHE Lactobacillus helveticus 3 0.7610
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7609
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7607
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7599
Seminal ribonuclease P00669 RNS_BOVIN Bos taurus 3 0.7598
Glucan 1,3-beta-glucosidase P29717 EXG1_CANAL Candida albicans 3 0.7598
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 3 0.7584
Prostaglandin reductase 1 Q14914 PTGR1_HUMAN Homo sapiens 5 0.7568
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7561
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7543
Genome polyprotein Q99AU2 Q99AU2_9HEPC Hepatitis C virus subtype 1b 3 0.7542
Glucose-1-phosphate thymidylyltransferase Q9HU22 Q9HU22_PSEAE Pseudomonas aeruginosa 3 0.7541
Lethal(3)malignant brain tumor-like protein 1 Q9Y468 LMBL1_HUMAN Homo sapiens 3 0.7539
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 3 0.7535
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.7530
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7521
Lactoperoxidase P80025 PERL_BOVIN Bos taurus 3 0.7513
Methylmalonyl-CoA decarboxylase P52045 SCPB_ECOLI Escherichia coli 3 0.7485
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha P49354 FNTA_HUMAN Homo sapiens 4 0.7474
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 4 0.7456
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7442
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 4 0.7440
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 4 0.7435
Proto-oncogene tyrosine-protein kinase Src P00523 SRC_CHICK Gallus gallus 3 0.7401
Secoisolariciresinol dehydrogenase Q94KL8 SILD_PODPE Podophyllum peltatum 4 0.7396
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7387
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7374
Metallo-beta-lactamase type 2 P52699 BLAB_SERMA Serratia marcescens 3 0.7364
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7360
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7357
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.7346
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 4 0.7345
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.7339
Genome polyprotein Q2YHF0 POLG_DEN4T Dengue virus type 4 3 0.7332
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 4 0.7316
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 4 0.7312
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 3 0.7312
Dihydrofolate reductase P0ABQ4 DYR_ECOLI Escherichia coli 3 0.7311
Carbonic anhydrase 4 P22748 CAH4_HUMAN Homo sapiens 3 0.7308
Activin receptor type-1 Q04771 ACVR1_HUMAN Homo sapiens 4 0.7305
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7293
Kinesin-like protein KIF11 P52732 KIF11_HUMAN Homo sapiens 3 0.7290
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7290
Polyprotein Q80J95 Q80J95_9CALI Murine norovirus 1 5 0.7289
Pyruvate dehydrogenase [ubiquinone] P07003 POXB_ECOLI Escherichia coli 3 0.7263
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 4 0.7262
Glycogen phosphorylase, liver form P06737 PYGL_HUMAN Homo sapiens 3 0.7258
Maltose/maltodextrin-binding periplasmic protein P0AEX9 MALE_ECOLI Escherichia coli 3 0.7252
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7241
Aminoglycoside 3'-phosphotransferase AphA1-IAB B0VD92 B0VD92_ACIBY Acinetobacter baumannii 3 0.7229
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 4 0.7223
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7223
Pantothenate kinase P9WPA7 COAA_MYCTU Mycobacterium tuberculosis 3 0.7213
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 5 0.7212
Glycogen phosphorylase, liver form P06737 PYGL_HUMAN Homo sapiens 4 0.7211
Dihydrofolate reductase P0ABQ4 DYR_ECOLI Escherichia coli 3 0.7196
Flavin-dependent thymidylate synthase Q9WYT0 THYX_THEMA Thermotoga maritima 3 0.7192
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 4 0.7189
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 4 0.7181
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 2 0.7180
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7174
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7165
Beta-hexosaminidase Q9KU37 NAGZ_VIBCH Vibrio cholerae serotype O1 3 0.7164
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 4 0.7163
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7160
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7145
Neuropilin-1 O14786 NRP1_HUMAN Homo sapiens 3 0.7140
Caspase-3 P42574 CASP3_HUMAN Homo sapiens 3 0.7136
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 4 0.7133
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7112
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7110
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 4 0.7105
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 4 0.7095
Nitric oxide synthase oxygenase O34453 NOSO_BACSU Bacillus subtilis 3 0.7081
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7079
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7078
Caspase-6 P55212 CASP6_HUMAN Homo sapiens 3 0.7078
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7066
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7065
Dihydrofolate reductase P00378 DYR_CHICK Gallus gallus 3 0.7056
Tryptase alpha/beta-1 Q15661 TRYB1_HUMAN Homo sapiens 3 0.7055
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 4 0.7053
Aminopeptidase N P04825 AMPN_ECOLI Escherichia coli 3 0.7047
Dihydropteroate synthase Q81VW8 Q81VW8_BACAN Bacillus anthracis 3 0.7047
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7043
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7039
Kinesin-like protein KIF11 P52732 KIF11_HUMAN Homo sapiens 3 0.7036
Uncharacterized protein Q55S71 Q55S71_CRYNB Cryptococcus neoformans var. neoformans serotype D 4 0.7033
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 4 0.7032
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 3 0.7028
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 4 0.7023
3-hydroxyisobutyryl-CoA hydrolase, mitochondrial Q6NVY1 HIBCH_HUMAN Homo sapiens 3 0.7020
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 4 0.7019
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7017
Vitamin D3 dihydroxylase P18326 CPXE_STRGO Streptomyces griseolus 3 0.7016
Polymerase basic protein 2 Q2LG68 Q2LG68_9INFA Influenza A virus) 4 0.7012
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7012
Leucoanthocyanidin dioxygenase Q96323 LDOX_ARATH Arabidopsis thaliana 4 0.7007
Uncharacterized protein Q55S71 Q55S71_CRYNB Cryptococcus neoformans var. neoformans serotype D 4 0.7002
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7000

Download SDF