5,7,8-trimethoxyflav-3-ene - Compound Card

5,7,8-trimethoxyflav-3-ene

Select a section from the left sidebar

5,7,8-trimethoxyflav-3-ene

Structure
Zoomed Structure
  • Family: Plantae - Annonaceae
  • Kingdom: Plantae
  • Class: Flavonoid
Canonical Smiles COc1cc(OC)c2c(c1OC)OC(C=C2)c1ccccc1
InChI InChI=1S/C18H18O4/c1-19-15-11-16(20-2)18(21-3)17-13(15)9-10-14(22-17)12-7-5-4-6-8-12/h4-11,14H,1-3H3
InChIKey AKGAHTGZXKRIMD-UHFFFAOYSA-N
Formula C18H18O4
HBA 4
HBD 0
MW 298.34
Rotatable Bonds 4
TPSA 36.92
LogP 3.86
Number Rings 3
Number Aromatic Rings 2
Heavy Atom Count 22
Formal Charge 0
Fraction CSP3 0.22
Exact Mass 298.12
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Uvaria dependens Annonaceae Plantae 1144412

Showing of synonyms

  • Nkunya MH, Waibel R, et al. (1993). Three flavonoids from the stem bark of the antimalarial Uvaria dependens.. Phytochemistry,1993,34(3),853-856. [View] [PubMed]
Pubchem: 23584001

No compound-protein relationship available.

Structure

SMILES: c1cccc(c12)OC(C=C2)c3ccccc3

Level: 1

Mol. Weight: 298.34 g/mol

Structure

SMILES: C1=CCOc(c12)cccc2

Level: 0

Mol. Weight: 298.34 g/mol

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 298.34 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.67
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.230
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.34

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.290
Plasma Protein Binding
48.12
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
Non-Substrate
CYP 2C9 Inhibitor
Non-Inhibitor
CYP 2C9 Substrate
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
8.760
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
2.170
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Safe
Maximum Tolerated Dose
0.720
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
6.700
Micronucleos
Safe
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
3.340
Rat (Acute)
2.190
Rat (Chronic Oral)
1.900
Fathead Minnow
5.060
Respiratory Disease
Safe
Skin Sensitisation
Safe
SR-ARE
Toxic
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
384.600
Hydration Free Energy
-6.920
Log(D) at pH=7.4
3.010
Log(P)
3.92
Log S
-3.99
Log(Vapor Pressure)
-5.62
Melting Point
93.23
pKa Acid
10.67
pKa Basic
1.68
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.9816
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.9816
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9641
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9641
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9449
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9449
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9447
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9447
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.9289
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.9289
Multidrug-efflux transporter 1 regulator P39075 BMRR_BACSU Bacillus subtilis 3 0.9286
Multidrug-efflux transporter 1 regulator P39075 BMRR_BACSU Bacillus subtilis 3 0.9286
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9274
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9274
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9178
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9178
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 3 0.9158
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 3 0.9158
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.9126
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.9126
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.9112
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.9112
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.9082
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.9082
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.8968
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.8968
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8932
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8932
Cytochrome P450 1A1 P04798 CP1A1_HUMAN Homo sapiens 3 0.8895
Cytochrome P450 1A1 P04798 CP1A1_HUMAN Homo sapiens 3 0.8895
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.8892
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.8892
Nodulin-13 P93330 NOD13_MEDTR Medicago truncatula 3 0.8850
Nodulin-13 P93330 NOD13_MEDTR Medicago truncatula 3 0.8850
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8839
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8839
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8816
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8816
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8760
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8760
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8668
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8668
Thymidylate synthase P0A886 TYSY_ECO57 Escherichia coli O157:H7 3 0.8666
Thymidylate synthase P0A886 TYSY_ECO57 Escherichia coli O157:H7 3 0.8666
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.8659
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.8659
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8591
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8591
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.8535
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.8535
Ephrin type-B receptor 4 P54760 EPHB4_HUMAN Homo sapiens 3 0.8486
Ephrin type-B receptor 4 P54760 EPHB4_HUMAN Homo sapiens 3 0.8486
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 4 0.8472
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 4 0.8472
Serine/threonine-protein kinase 10 O94804 STK10_HUMAN Homo sapiens 3 0.8468
Serine/threonine-protein kinase 10 O94804 STK10_HUMAN Homo sapiens 3 0.8468
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8443
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8443
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8442
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.8442
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8410
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8410
Glycylpeptide N-tetradecanoyltransferase Q4Q5S8 Q4Q5S8_LEIMA Leishmania major 3 0.8335
Glycylpeptide N-tetradecanoyltransferase Q4Q5S8 Q4Q5S8_LEIMA Leishmania major 3 0.8335
cGMP-specific 3',5'-cyclic phosphodiesterase O76074 PDE5A_HUMAN Homo sapiens 4 0.8327
cGMP-specific 3',5'-cyclic phosphodiesterase O76074 PDE5A_HUMAN Homo sapiens 4 0.8327
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8308
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8308
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8292
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8292
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.8291
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.8291
NADH:flavin oxidoreductase Sye1 Q8EEC8 Q8EEC8_SHEON Shewanella oneidensis 3 0.8243
NADH:flavin oxidoreductase Sye1 Q8EEC8 Q8EEC8_SHEON Shewanella oneidensis 3 0.8243
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8201
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8201
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.8164
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.8164
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.8152
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.8152
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.8146
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.8146
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8129
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8129
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.8113
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.8113
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8081
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8081
Tau-tubulin kinase 1 Q5TCY1 TTBK1_HUMAN Homo sapiens 3 0.8072
Caspase-6 P55212 CASP6_HUMAN Homo sapiens 3 0.8072
Caspase-6 P55212 CASP6_HUMAN Homo sapiens 3 0.8072
Tau-tubulin kinase 1 Q5TCY1 TTBK1_HUMAN Homo sapiens 3 0.8072
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.8068
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.8068
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 3 0.8056
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 3 0.8056
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8039
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8039
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.8004
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.8004
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7997
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7997
Anthocyanidin 3-O-glucosyltransferase UFGT P51094 UFOG_VITVI Vitis vinifera 4 0.7984
Anthocyanidin 3-O-glucosyltransferase UFGT P51094 UFOG_VITVI Vitis vinifera 4 0.7984
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7957
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7957
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.7955
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.7955
Protein polybromo-1 Q86U86 PB1_HUMAN Homo sapiens 4 0.7945
Protein polybromo-1 Q86U86 PB1_HUMAN Homo sapiens 4 0.7945
Putative ketoacyl reductase P16544 ACT3_STRCO Streptomyces coelicolor / M145) 3 0.7938
Putative ketoacyl reductase P16544 ACT3_STRCO Streptomyces coelicolor / M145) 3 0.7938
Cyclic nucleotide-binding protein B8FW11 B8FW11_DESHD Desulfitobacterium hafniense 3 0.7921
Cyclic nucleotide-binding protein B8FW11 B8FW11_DESHD Desulfitobacterium hafniense 3 0.7921
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7901
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7901
HTH-type transcriptional regulator TtgR Q9AIU0 TTGR_PSEPT Pseudomonas putida 3 0.7896
HTH-type transcriptional regulator TtgR Q9AIU0 TTGR_PSEPT Pseudomonas putida 3 0.7896
Heat shock protein 75 kDa, mitochondrial Q12931 TRAP1_HUMAN Homo sapiens 3 0.7892
Heat shock protein 75 kDa, mitochondrial Q12931 TRAP1_HUMAN Homo sapiens 3 0.7892
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7851
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7851
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.7841
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.7841
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7839
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7839
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7813
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7813
Proto-oncogene tyrosine-protein kinase receptor Ret P07949 RET_HUMAN Homo sapiens 3 0.7807
Proto-oncogene tyrosine-protein kinase receptor Ret P07949 RET_HUMAN Homo sapiens 3 0.7807
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7806
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7806
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7800
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7800
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 3 0.7793
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 3 0.7793
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7792
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7792
Quercetin 2,3-dioxygenase Q7SIC2 QDOI_ASPJA Aspergillus japonicus 3 0.7769
Quercetin 2,3-dioxygenase Q7SIC2 QDOI_ASPJA Aspergillus japonicus 3 0.7769
Secoisolariciresinol dehydrogenase Q94KL8 SILD_PODPE Podophyllum peltatum 3 0.7732
Secoisolariciresinol dehydrogenase Q94KL8 SILD_PODPE Podophyllum peltatum 3 0.7732
Achbp I6L8L2 I6L8L2_CAPTE Capitella teleta 3 0.7719
Achbp I6L8L2 I6L8L2_CAPTE Capitella teleta 3 0.7719
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7718
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7718
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7705
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7705
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 2 0.7697
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 2 0.7697
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7697
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7697
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.7677
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.7677
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7666
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7666
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7650
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7650
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7633
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7633
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 2 0.7609
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 2 0.7609
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7608
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7608
O-methyltransferase family 2 D5STZ7 D5STZ7_PLAL2 Planctopirus limnophila 4 0.7591
O-methyltransferase family 2 D5STZ7 D5STZ7_PLAL2 Planctopirus limnophila 4 0.7591
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7574
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7574
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 4 0.7570
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 4 0.7570
Cyclin-dependent kinase 9 P50750 CDK9_HUMAN Homo sapiens 3 0.7554
Cyclin-dependent kinase 9 P50750 CDK9_HUMAN Homo sapiens 3 0.7554
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7533
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7533
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7531
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7531
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7530
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7530
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7528
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7528
Chalcone--flavanone isomerase 1 P28012 CFI1_MEDSA Medicago sativa 3 0.7521
Chalcone--flavanone isomerase 1 P28012 CFI1_MEDSA Medicago sativa 3 0.7521
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7508
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7508
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.7506
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.7506
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7501
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7501
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7489
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7489
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.7488
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.7488
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.7479
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.7479
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7466
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7466
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7461
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7461
Chalcone synthase 2 P30074 CHS2_MEDSA Medicago sativa 4 0.7460
Chalcone synthase 2 P30074 CHS2_MEDSA Medicago sativa 4 0.7460
Thymidine phosphorylase P07650 TYPH_ECOLI Escherichia coli 4 0.7455
Thymidine phosphorylase P07650 TYPH_ECOLI Escherichia coli 4 0.7455
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.7443
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.7443
Pteridine reductase O76290 O76290_TRYBB Trypanosoma brucei brucei 3 0.7436
Pteridine reductase O76290 O76290_TRYBB Trypanosoma brucei brucei 3 0.7436
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7434
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7434
Streptavidin P22629 SAV_STRAV Streptomyces avidinii 3 0.7434
Protein mono-ADP-ribosyltransferase PARP15 Q460N3 PAR15_HUMAN Homo sapiens 3 0.7434
Protein mono-ADP-ribosyltransferase PARP15 Q460N3 PAR15_HUMAN Homo sapiens 3 0.7434
Streptavidin P22629 SAV_STRAV Streptomyces avidinii 3 0.7434
Acetylcholinesterase P22303 ACES_HUMAN Homo sapiens 3 0.7431
Acetylcholinesterase P22303 ACES_HUMAN Homo sapiens 3 0.7431
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7430
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7430
Glutathione S-transferase F2 P46422 GSTF2_ARATH Arabidopsis thaliana 2 0.7422
Glutathione S-transferase F2 P46422 GSTF2_ARATH Arabidopsis thaliana 2 0.7422
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.7417
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7417
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.7417
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7417
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.7413
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.7413
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7410
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7410
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7402
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7402
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7368
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7368
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7367
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7367
Non-receptor tyrosine-protein kinase TYK2 P29597 TYK2_HUMAN Homo sapiens 3 0.7342
Non-receptor tyrosine-protein kinase TYK2 P29597 TYK2_HUMAN Homo sapiens 3 0.7342
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7339
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7339
Proto-oncogene tyrosine-protein kinase Src P12931 SRC_HUMAN Homo sapiens 3 0.7337
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7337
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7337
Proto-oncogene tyrosine-protein kinase Src P12931 SRC_HUMAN Homo sapiens 3 0.7337
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 4 0.7326
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 4 0.7326
Flavonoid 3-O-glucosyltransferase A6XNC6 UGFGT_MEDTR Medicago truncatula 2 0.7324
Flavonoid 3-O-glucosyltransferase A6XNC6 UGFGT_MEDTR Medicago truncatula 2 0.7324
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7313
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7313
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7296
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7296
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7287
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7287
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7281
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7281
Bifunctional dihydrofolate reductase-thymidylate synthase P13922 DRTS_PLAFK Plasmodium falciparum 2 0.7280
Bifunctional dihydrofolate reductase-thymidylate synthase P13922 DRTS_PLAFK Plasmodium falciparum 2 0.7280
ATP synthase subunit alpha, mitochondrial P19483 ATPA_BOVIN Bos taurus 3 0.7275
ATP synthase subunit alpha, mitochondrial P19483 ATPA_BOVIN Bos taurus 3 0.7275
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7272
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7272
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7260
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7260
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7254
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7254
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7250
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7250
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7241
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7241
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7232
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7232
Casein kinase I isoform gamma-3 Q9Y6M4 KC1G3_HUMAN Homo sapiens 3 0.7230
Casein kinase I isoform gamma-3 Q9Y6M4 KC1G3_HUMAN Homo sapiens 3 0.7230
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7221
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7221
Retinol dehydratase Q26490 Q26490_SPOFR Spodoptera frugiperda 3 0.7218
Retinol dehydratase Q26490 Q26490_SPOFR Spodoptera frugiperda 3 0.7218
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7214
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7214
Tyrosine-protein kinase Lck P06239 LCK_HUMAN Homo sapiens 3 0.7205
Tyrosine-protein kinase Lck P06239 LCK_HUMAN Homo sapiens 3 0.7205
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7202
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7202
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 3 0.7196
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 3 0.7196
Prothrombin P00734 THRB_HUMAN Homo sapiens 2 0.7189
Prothrombin P00734 THRB_HUMAN Homo sapiens 2 0.7189
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.7187
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.7187
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7179
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7179
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7178
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7178
Carminomycin 4-O-methyltransferase DnrK Q06528 DNRK_STRPE Streptomyces peucetius 2 0.7175
Carminomycin 4-O-methyltransferase DnrK Q06528 DNRK_STRPE Streptomyces peucetius 2 0.7175
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7171
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.7171
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.7149
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.7149
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7132
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7132
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7121
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 2 0.7121
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7121
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 2 0.7121
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7118
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7118
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7113
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7113
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 4 0.7108
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 4 0.7108
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7106
Glucan 1,3-beta-glucosidase P29717 EXG1_CANAL Candida albicans 2 0.7106
Glucan 1,3-beta-glucosidase P29717 EXG1_CANAL Candida albicans 2 0.7106
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7106
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7101
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7101
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7099
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7099
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7093
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7093
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7087
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7087
Glucose-1-phosphate thymidylyltransferase Q9HU22 Q9HU22_PSEAE Pseudomonas aeruginosa 3 0.7080
Glucose-1-phosphate thymidylyltransferase Q9HU22 Q9HU22_PSEAE Pseudomonas aeruginosa 3 0.7080
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7069
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7069
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7068
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7068
Dihydroorotate dehydrogenase (quinone), mitochondrial Q08210 PYRD_PLAF7 Plasmodium falciparum 3 0.7066
Dihydroorotate dehydrogenase (quinone), mitochondrial Q08210 PYRD_PLAF7 Plasmodium falciparum 3 0.7066
Metallo-beta-lactamase type 2 P25910 BLAB_BACFG Bacteroides fragilis 3 0.7054
Succinate dehydrogenase flavoprotein subunit P0AC41 SDHA_ECOLI Escherichia coli 2 0.7054
Metallo-beta-lactamase type 2 P25910 BLAB_BACFG Bacteroides fragilis 3 0.7054
Succinate dehydrogenase flavoprotein subunit P0AC41 SDHA_ECOLI Escherichia coli 2 0.7054
Gag-Pol polyprotein P04584 POL_HV2RO Human immunodeficiency virus type 2 subtype A 3 0.7050
Gag-Pol polyprotein P04584 POL_HV2RO Human immunodeficiency virus type 2 subtype A 3 0.7050
cGMP-dependent protein kinase, putative A5K0N4 A5K0N4_PLAVS Plasmodium vivax 3 0.7050
cGMP-dependent protein kinase, putative A5K0N4 A5K0N4_PLAVS Plasmodium vivax 3 0.7050
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7048
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7048
TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase Q6T1W8 FDTA_ANETH Aneurinibacillus thermoaerophilus 3 0.7040
TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase Q6T1W8 FDTA_ANETH Aneurinibacillus thermoaerophilus 3 0.7040
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 3 0.7039
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 3 0.7039
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7038
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7038
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7038
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7038
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Q3JRA0 ISPF_BURP1 Burkholderia pseudomallei 3 0.7033
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Q3JRA0 ISPF_BURP1 Burkholderia pseudomallei 3 0.7033
Ribosomal protein S6 kinase alpha-3 P18654 KS6A3_MOUSE Mus musculus 4 0.7028
Ribosomal protein S6 kinase alpha-3 P18654 KS6A3_MOUSE Mus musculus 4 0.7028
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7025
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7025
NADPH-dependent oxidoreductase 2-alkenal reductase Q39172 AER_ARATH Arabidopsis thaliana 2 0.7023
NADPH-dependent oxidoreductase 2-alkenal reductase Q39172 AER_ARATH Arabidopsis thaliana 2 0.7023
Alanine racemase Q180W0 Q180W0_CLOD6 Clostridioides difficile 2 0.7021
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.7021
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.7021
Alanine racemase Q180W0 Q180W0_CLOD6 Clostridioides difficile 2 0.7021
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7014
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7014
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 2 0.7011
Carbonic anhydrase 1 P00915 CAH1_HUMAN Homo sapiens 2 0.7011
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 2 0.7011
Carbonic anhydrase 1 P00915 CAH1_HUMAN Homo sapiens 2 0.7011
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7007
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7007
IOMT 3 Q06YR3 Q06YR3_MEDTR Medicago truncatula 3 0.7002
IOMT 3 Q06YR3 Q06YR3_MEDTR Medicago truncatula 3 0.7002

Download SDF