3,3'-diindolylmethane - Compound Card

3,3'-diindolylmethane

Select a section from the left sidebar

3,3'-diindolylmethane

Structure
Zoomed Structure
  • Family: Plantae - Arecaceae
  • Kingdom: Plantae
  • Class: Indole
Canonical Smiles c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKey VFTRKSBEFQDZKX-UHFFFAOYSA-N
Formula C17H14N2
HBA 0
HBD 2
MW 246.31
Rotatable Bonds 2
TPSA 31.58
LogP 4.24
Number Rings 4
Number Aromatic Rings 4
Heavy Atom Count 19
Formal Charge 0
Fraction CSP3 0.06
Exact Mass 246.12
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Sabal palmetto Arecaceae Plantae

Showing of synonyms

  • El-Hawwary S.S, Saber F.R, et al. (2018). Cytotoxic potential of three Sabal species grown in Egypt: A metabolomic and docking-based study. Natural product research, 2018, 32(7), 810-814. [View] [PubMed]
CPRiL: 51269
Structure

SMILES: c1cccc(c12)[nH]cc2Cc3c[nH]c(c34)cccc4

Level: 1

Mol. Weight: 246.31 g/mol

Structure

SMILES: c1c[nH]c(c12)cccc2

Level: 0

Mol. Weight: 246.31 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.8
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.45
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.11

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.93
Plasma Protein Binding
42.5
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
10.39
Organic Cation Transporter 2
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)
Toxic
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
-0.75
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
5.02
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
3.49
Rat (Acute)
2.21
Rat (Chronic Oral)
2.38
Fathead Minnow
4.64
Respiratory Disease
Safe
Skin Sensitisation
Toxic
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Toxic
SR-p53
Safe

General Properties

Boiling Point
427.73
Hydration Free Energy
-10.52
Log(D) at pH=7.4
4.11
Log(P)
4.12
Log S
-6.01
Log(Vapor Pressure)
-8.14
Melting Point
243.17
pKa Acid
12.29
pKa Basic
2.24
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
11-beta-hydroxysteroid dehydrogenase 1 Q6QLL4 DHI1_CAVPO Cavia porcellus 3 0.9795
Multidrug-efflux transporter 1 regulator P39075 BMRR_BACSU Bacillus subtilis 3 0.9780
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.9768
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9652
Bromodomain testis-specific protein Q58F21 BRDT_HUMAN Homo sapiens 3 0.9613
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9568
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9564
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9524
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.9503
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.9459
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9443
Serine/threonine-protein kinase PLK2 Q9NYY3 PLK2_HUMAN Homo sapiens 3 0.9386
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9384
Serine/threonine-protein kinase PLK2 Q9NYY3 PLK2_HUMAN Homo sapiens 3 0.9373
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.9363
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.9362
Focal adhesion kinase 1 Q05397 FAK1_HUMAN Homo sapiens 3 0.9343
Cytochrome P450 2C19 P33261 CP2CJ_HUMAN Homo sapiens 3 0.9304
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9304
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.9297
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.9288
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9246
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.9233
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.9177
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 4 0.9144
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 3 0.9139
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.9124
Prostaglandin E synthase 2 Q9N0A4 PGES2_MACFA Macaca fascicularis 3 0.9074
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.9064
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.9011
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.9008
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.9003
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.8998
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.8977
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8952
Prostaglandin G/H synthase 1 P05979 PGH1_SHEEP Ovis aries 3 0.8922
Aldo-keto reductase family 1 member B10 O60218 AK1BA_HUMAN Homo sapiens 3 0.8919
Glycylpeptide N-tetradecanoyltransferase Q4Q5S8 Q4Q5S8_LEIMA Leishmania major 3 0.8902
Protein S100-A4 P26447 S10A4_HUMAN Homo sapiens 3 0.8874
E3 ubiquitin-protein ligase Mdm2 Q00987 MDM2_HUMAN Homo sapiens 3 0.8836
Glycylpeptide N-tetradecanoyltransferase Q4Q5S8 Q4Q5S8_LEIMA Leishmania major 3 0.8810
Vascular endothelial growth factor receptor 2 P35968 VGFR2_HUMAN Homo sapiens 3 0.8804
Aldehyde dehydrogenase, dimeric NADP-preferring P30838 AL3A1_HUMAN Homo sapiens 3 0.8764
Casein kinase I isoform delta P48730 KC1D_HUMAN Homo sapiens 3 0.8708
Prolyl tripeptidyl peptidase Q7MUW6 PTP_PORGI Porphyromonas gingivalis 3 0.8701
Aminoglycoside 3'-phosphotransferase AphA1-IAB B0VD92 B0VD92_ACIBY Acinetobacter baumannii 3 0.8678
E3 ubiquitin-protein ligase Mdm2 P56273 MDM2_XENLA Xenopus laevis 3 0.8664
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.8642
Thymidine kinase P0DTH5 KITH_HHV11 Human herpesvirus 1 3 0.8632
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.8631
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8625
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.8583
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.8581
Flavin reductase (NADPH) P30043 BLVRB_HUMAN Homo sapiens 3 0.8570
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8551
Calmodulin-like domain protein kinase isoenzyme gamma, related F0V9W9 F0V9W9_NEOCL Neospora caninum 3 0.8508
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.8500
Putative HMP/thiamine-binding protein YkoF O34911 YKOF_BACSU Bacillus subtilis 3 0.8497
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 3 0.8460
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8439
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 3 0.8425
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.8412
Transthyretin Q9PTT3 Q9PTT3_SPAAU Sparus aurata 3 0.8401
Casein kinase I isoform delta P48730 KC1D_HUMAN Homo sapiens 3 0.8377
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.8373
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 Q15750 TAB1_HUMAN Homo sapiens 3 0.8370
Cytochrome P450 2B4 P00178 CP2B4_RABIT Oryctolagus cuniculus 3 0.8365
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8365
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.8347
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 3 0.8273
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.8255
Hematopoietic prostaglandin D synthase O60760 HPGDS_HUMAN Homo sapiens 3 0.8203
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8202
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 4 0.8174
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8168
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.8125
Proto-oncogene tyrosine-protein kinase Src P00523 SRC_CHICK Gallus gallus 3 0.8106
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.8095
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.8093
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8093
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8092
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.8081
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.8059
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8041
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.8030
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.8029
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8020
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.8006
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8002
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.8000
Mitogen-activated protein kinase kinase kinase 14 Q99558 M3K14_HUMAN Homo sapiens 3 0.7991
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7991
Tyrosine-protein kinase HCK P08631 HCK_HUMAN Homo sapiens 3 0.7974
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7965
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.7953
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7951
E3 ubiquitin-protein ligase Mdm2 Q00987 MDM2_HUMAN Homo sapiens 3 0.7945
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7945
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 4 0.7941
Hepatocyte growth factor receptor P08581 MET_HUMAN Homo sapiens 3 0.7938
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7928
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7916
Sterol 14alpha-demethylase P9WPP9 CP51_MYCTU Mycobacterium tuberculosis 3 0.7909
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7909
Actin-related protein 3 P61157 ARP3_BOVIN Bos taurus 3 0.7908
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7898
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 3 0.7880
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7867
Dihydroorotate dehydrogenase (quinone), mitochondrial Q08210 PYRD_PLAF7 Plasmodium falciparum 3 0.7867
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7837
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7834
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7832
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7828
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 2 0.7822
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7819
Bifunctional dihydrofolate reductase-thymidylate synthase O02604 DRTS_PLAVI Plasmodium vivax 3 0.7819
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7805
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.7804
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7804
Prostaglandin G/H synthase 2 Q05769 PGH2_MOUSE Mus musculus 3 0.7800
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 3 0.7795
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7792
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 3 0.7787
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7766
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 3 0.7761
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7760
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7756
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 3 0.7751
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7744
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7743
Dihydrofolate reductase type 1 from Tn4003 P13955 DYRA_STAAU Staphylococcus aureus 3 0.7741
Actin-related protein 3 P61157 ARP3_BOVIN Bos taurus 3 0.7732
Caspase-3 P42574 CASP3_HUMAN Homo sapiens 2 0.7729
Abscisic acid receptor PYL1 Q8VZS8 PYL1_ARATH Arabidopsis thaliana 3 0.7726
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.7724
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.7721
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7717
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7717
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.7713
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 2 0.7712
Thymidylate synthase P0A886 TYSY_ECO57 Escherichia coli O157:H7 2 0.7711
Lanosterol 14-alpha demethylase A6ZSR0 A6ZSR0_YEAS7 Saccharomyces cerevisiae 3 0.7704
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7703
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7700
Calmodulin P62157 CALM_BOVIN Bos taurus 3 0.7695
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7695
Gastrotropin Q6IMW5 Q6IMW5_DANRE Danio rerio 2 0.7689
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7688
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7686
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7682
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7680
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 2 0.7678
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7675
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7673
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7668
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.7667
Glutathione S-transferase F2 P46422 GSTF2_ARATH Arabidopsis thaliana 3 0.7665
Ephrin type-B receptor 4 P54760 EPHB4_HUMAN Homo sapiens 3 0.7660
Flavonoid 3-O-glucosyltransferase A6XNC6 UGFGT_MEDTR Medicago truncatula 3 0.7660
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7654
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7650
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7649
Transcriptional enhancer factor TEF-4 Q15562 TEAD2_HUMAN Homo sapiens 3 0.7642
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 3 0.7641
Protein ppBat Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron VPI-5482 3 0.7641
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7641
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 2 0.7639
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7637
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 2 0.7634
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7626
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7626
Calmodulin-domain protein kinase 1, putative A3FQ16 A3FQ16_CRYPI Cryptosporidium parvum 3 0.7618
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7602
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7593
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7587
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7587
Beta-secretase 2 Q9Y5Z0 BACE2_HUMAN Homo sapiens 2 0.7579
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7572
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 3 0.7572
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7568
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7567
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7556
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 4 0.7550
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7543
Pyridoxal kinase P82197 PDXK_SHEEP Ovis aries 3 0.7537
Estrogen receptor P03372 ESR1_HUMAN Homo sapiens 3 0.7536
Dihydrofolate reductase P0A017 DYR_STAAU Staphylococcus aureus 3 0.7535
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.7530
Vascular endothelial growth factor receptor 2 P35968 VGFR2_HUMAN Homo sapiens 3 0.7526
Troponin C, slow skeletal and cardiac muscles P63316 TNNC1_HUMAN Homo sapiens 3 0.7522
Streptavidin P22629 SAV_STRAV Streptomyces avidinii 3 0.7518
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.7504
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7502
Prostaglandin reductase 3 Q8N4Q0 PTGR3_HUMAN Homo sapiens 3 0.7498
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.7494
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7494
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7494
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7491
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7489
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7488
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7486
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 2 0.7477
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7475
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 3 0.7471
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7470
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7455
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7454
Sulfotransferase 1A1 P50225 ST1A1_HUMAN Homo sapiens 2 0.7453
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 4 0.7450
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 2 0.7450
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.7441
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7436
Prostaglandin G/H synthase 2 Q05769 PGH2_MOUSE Mus musculus 3 0.7426
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 2 0.7425
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7421
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.7414
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7410
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7409
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7408
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7405
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 3 0.7403
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7402
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7402
Cell division cycle 7-related protein kinase O00311 CDC7_HUMAN Homo sapiens 3 0.7395
RAC-alpha serine/threonine-protein kinase P31749 AKT1_HUMAN Homo sapiens 3 0.7389
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7388
Troponin C, slow skeletal and cardiac muscles P63316 TNNC1_HUMAN Homo sapiens 3 0.7387
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7386
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7385
Chitinase Q54276 Q54276_SERMA Serratia marcescens 2 0.7381
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7380
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7377
Heat shock protein HSP 90-beta P08238 HS90B_HUMAN Homo sapiens 2 0.7366
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7365
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7365
Reticuline oxidase P30986 RETO_ESCCA Eschscholzia californica 3 0.7361
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7355
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7349
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 2 0.7349
Purine nucleoside phosphorylase, putative A2E7Y6 A2E7Y6_TRIVA Trichomonas vaginalis 3 0.7349
Bifunctional dihydrofolate reductase-thymidylate synthase P13922 DRTS_PLAFK Plasmodium falciparum 3 0.7346
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7345
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7339
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 2 0.7338
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 4 0.7334
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7334
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7334
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 2 0.7332
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7330
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 4 0.7323
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7321
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 4 0.7318
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7308
Cathepsin S P25774 CATS_HUMAN Homo sapiens 2 0.7307
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7304
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7301
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 4 0.7297
Dihydrofolate reductase P00381 DYR_LACCA Lacticaseibacillus casei 3 0.7295
Cyclic dipeptide N-prenyltransferase D1D8L6 D1D8L6_ASPFM Neosartorya fumigata 2 0.7287
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7285
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase F6MZ55 F6MZ55_9FIRM Sporomusa ovata 2 0.7284
Calmodulin-1 P0DP29 CALM1_RAT Rattus norvegicus 3 0.7278
Maternal embryonic leucine zipper kinase Q14680 MELK_HUMAN Homo sapiens 4 0.7276
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7276
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7275
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7273
Proto-oncogene tyrosine-protein kinase Src P12931 SRC_HUMAN Homo sapiens 3 0.7270
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7268
Histamine N-methyltransferase P50135 HNMT_HUMAN Homo sapiens 3 0.7261
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Q3JRA0 ISPF_BURP1 Burkholderia pseudomallei 3 0.7261
Actin, alpha skeletal muscle P68135 ACTS_RABIT Oryctolagus cuniculus 3 0.7260
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7259
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7258
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 DXR_ECOLI Escherichia coli 2 0.7253
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7251
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7248
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 3 0.7246
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7245
Thyroid hormone receptor beta P10828 THB_HUMAN Homo sapiens 4 0.7242
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7241
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 2 0.7238
Cytochrome P450 11B2, mitochondrial P19099 C11B2_HUMAN Homo sapiens 3 0.7237
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7236
Aurora kinase B-A Q6DE08 AUKBA_XENLA Xenopus laevis 3 0.7228
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7226
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7215
Glutathione S-transferase P P09211 GSTP1_HUMAN Homo sapiens 2 0.7212
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7211
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 3 0.7207
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7200
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.7199
Phytohormone-binding protein CSBP A0A1S3THR8 PHBP_VIGRR Vigna radiata var. radiata 2 0.7199
Estrogen receptor P03372 ESR1_HUMAN Homo sapiens 3 0.7193
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 2 0.7189
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 2 0.7188
Casein kinase I isoform delta P48730 KC1D_HUMAN Homo sapiens 3 0.7187
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7180
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase O67060 ISPE_AQUAE Aquifex aeolicus 2 0.7180
4-hydroxyphenylacetate 3-monooxygenase Q8YHT7 Q8YHT7_BRUME Brucella melitensis biotype 1 2 0.7176
Calmodulin-like domain protein kinase Q3HNM4 Q3HNM4_EIMTE Eimeria tenella 3 0.7167
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 3 0.7166
NADPH dehydrogenase 1 Q02899 OYE1_SACPS Saccharomyces pastorianus 2 0.7166
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.7164
Abscisic acid receptor PYL10 Q8H1R0 PYL10_ARATH Arabidopsis thaliana 3 0.7158
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7149
Major pollen allergen Bet v 1-A P15494 BEV1A_BETPN Betula pendula 2 0.7148
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7143
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7141
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7135
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7133
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7132
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7131
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7119
Prostaglandin G/H synthase 2 Q05769 PGH2_MOUSE Mus musculus 3 0.7118
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 2 0.7118
Dihydropteroate synthase Q81VW8 Q81VW8_BACAN Bacillus anthracis 2 0.7116
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7115
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7111
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7108
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 3 0.7105
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7104
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7104
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7102
Kynurenine 3-monooxygenase P38169 KMO_YEAST Saccharomyces cerevisiae 2 0.7100
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7099
Adenosine kinase P55263 ADK_HUMAN Homo sapiens 3 0.7095
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.7092
Toll-like receptor 8 Q9NR97 TLR8_HUMAN Homo sapiens 3 0.7090
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7085
3',5'-cyclic-AMP phosphodiesterase 4B Q07343 PDE4B_HUMAN Homo sapiens 3 0.7083
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 2 0.7083
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 3 0.7081
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7078
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7077
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.7075
Endolysin P00720 ENLYS_BPT4 Enterobacteria phage T4 3 0.7075
Dihydrofolate reductase Q6FPH0 Q6FPH0_CANGA Candida glabrata 3 0.7071
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.7071
17beta-hydroxysteroid dehydrogenase O93874 O93874_COCLU Cochliobolus lunatus 2 0.7070
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 2 0.7069
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7065
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7065
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7064
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7062
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7061
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7059
Dihydrofolate reductase P22906 DYR_CANAX Candida albicans 3 0.7051
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial P08559 ODPA_HUMAN Homo sapiens 3 0.7050
Cholinesterase P06276 CHLE_HUMAN Homo sapiens 2 0.7045
Dihydrofolate reductase P22906 DYR_CANAX Candida albicans 3 0.7044
Aminoglycoside 3'-phosphotransferase AphA1-IAB B0VD92 B0VD92_ACIBY Acinetobacter baumannii 3 0.7039
Aminoglycoside 3'-phosphotransferase AphA1-IAB B0VD92 B0VD92_ACIBY Acinetobacter baumannii 3 0.7037
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 2 0.7035
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7031
L-lactate dehydrogenase A chain P13491 LDHA_RABIT Oryctolagus cuniculus 2 0.7029
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7028
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.7027
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Q15119 PDK2_HUMAN Homo sapiens 3 0.7024
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7024
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 2 0.7021
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 2 0.7017
Interleukin-2 P60568 IL2_HUMAN Homo sapiens 2 0.7014
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7013
Sterol 14-alpha demethylase cyp51B E9QY26 CP51B_ASPFU Aspergillus fumigatus 3 0.7012
GTPase KRas P01116 RASK_HUMAN Homo sapiens 2 0.7012
C-C chemokine receptor type 5 P51681 CCR5_HUMAN Homo sapiens 3 0.7009
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 3 0.7007
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7007

Download SDF