1,2 benzene dicarboxylic acid, dioctyl ester - Compound Card

1,2 benzene dicarboxylic acid, dioctyl ester

Select a section from the left sidebar

1,2 benzene dicarboxylic acid, dioctyl ester

Structure
Zoomed Structure
  • Family: Plantae - Asteraceae
  • Kingdom: Plantae
  • Class: Ester
Canonical Smiles CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey MQIUGAXCHLFZKX-UHFFFAOYSA-N
Formula C24H38O4
HBA 4
HBD 0
MW 390.56
Rotatable Bonds 16
TPSA 52.6
LogP 6.72
Number Rings 1
Number Aromatic Rings 1
Heavy Atom Count 28
Formal Charge 0
Fraction CSP3 0.67
Exact Mass 390.28
Number of Lipinski Rule Violations 1
# Species Family Kingdom NCBI Taxonomy ID
1 Eichhornia crassipes Pontideraceae Plantae 44947
2 Launaea resedifolia Asteraceae Plantae 43198

Showing of synonyms

  • Zellagui A, Gherraf N, et al. (2012). Chemical composition and antibacterial activity of the essential oils from Launaea resedifolia L.. Organic and Medicinal Chemistry Letters,2012,2(1),2. [View] [PubMed]
  • Aboul-Enein AM, Shanab SM, et al. (2014). Cytotoxic and antioxidant properties of active principals isolated from water hyacinth against four cancer cells lines. BMC Complementary and Alternative Medicine,2014,14,397. [View] [PubMed]
CPRiL: 4740
Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 390.56 g/mol

Anticancer
Antimicrobial
Antioxidant

Absorption

Caco-2 (logPapp)
-4.91
Human Oral Bioavailability 20%
Non-Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.39
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-3.48

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.3
Plasma Protein Binding
36.7
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
2.55
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Safe
Bioconcentration Factor
1.01
Biodegradation
Toxic
Carcinogenesis
Toxic
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
1.82
Liver Injury II
Safe
hERG Blockers
Toxic
Daphnia Maga
5.41
Micronucleos
Safe
NR-AhR
Safe
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Safe
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
-1.12
Rat (Acute)
0.83
Rat (Chronic Oral)
2.91
Fathead Minnow
4.42
Respiratory Disease
Safe
Skin Sensitisation
Toxic
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
401.78
Hydration Free Energy
-3.66
Log(D) at pH=7.4
5.96
Log(P)
8.2
Log S
-6.32
Log(Vapor Pressure)
-6.38
Melting Point
-15.66
pKa Acid
10.68
pKa Basic
5.33
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 3 0.9239
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 3 0.9239
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9201
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9201
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9162
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.9162
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8717
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8717
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8614
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8614
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 3 0.8425
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 3 0.8425
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.8401
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.8401
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.8347
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.8347
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.8205
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.8205
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8088
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8088
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.8037
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.8037
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.8006
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.8006
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 2 0.7965
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 2 0.7965
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7960
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7960
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 3 0.7951
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 3 0.7951
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 2 0.7950
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 2 0.7950
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7941
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7941
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7929
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7929
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7901
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7901
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 2 0.7900
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 2 0.7900
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 2 0.7872
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 2 0.7872
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7862
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7862
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7859
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7859
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.7856
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.7856
Alcohol dehydrogenase 1C P00326 ADH1G_HUMAN Homo sapiens 2 0.7847
Alcohol dehydrogenase 1C P00326 ADH1G_HUMAN Homo sapiens 2 0.7847
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7832
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7832
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 2 0.7827
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 2 0.7827
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7817
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7817
Cytochrome b6 P83791 CYB6_MASLA Mastigocladus laminosus 3 0.7810
Cytochrome b6 P83791 CYB6_MASLA Mastigocladus laminosus 3 0.7810
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7747
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7747
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7736
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7736
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 2 0.7725
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 2 0.7725
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7715
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7715
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7714
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7714
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7713
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7713
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7705
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7705
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 3 0.7695
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 3 0.7695
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7690
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7690
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 2 0.7686
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 2 0.7686
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7678
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7678
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7678
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7678
Dipeptidyl peptidase 4 P14740 DPP4_RAT Rattus norvegicus 2 0.7675
Dipeptidyl peptidase 4 P14740 DPP4_RAT Rattus norvegicus 2 0.7675
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7671
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7671
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7671
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7671
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 2 0.7670
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 2 0.7670
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7664
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7664
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7655
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7655
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7651
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7651
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7650
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7650
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7648
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7648
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7647
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7647
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7638
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7638
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7636
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7636
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7628
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7628
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7602
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7602
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7583
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7583
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7578
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7578
Methionine aminopeptidase 1 P53582 MAP11_HUMAN Homo sapiens 2 0.7577
Methionine aminopeptidase 1 P53582 MAP11_HUMAN Homo sapiens 2 0.7577
Epoxide hydrolase Q41415 Q41415_SOLTU Solanum tuberosum 2 0.7570
Epoxide hydrolase Q41415 Q41415_SOLTU Solanum tuberosum 2 0.7570
Tetracycline repressor protein class H P51561 TETR8_PASMD Pasteurella multocida 2 0.7552
Tetracycline repressor protein class H P51561 TETR8_PASMD Pasteurella multocida 2 0.7552
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7548
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7548
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7547
Aromatase P11511 CP19A_HUMAN Homo sapiens 2 0.7547
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7541
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7541
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7538
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7538
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7529
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7529
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7523
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7523
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7522
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7522
Prostaglandin F2a synthase Q8I6L9 Q8I6L9_TRYCR Trypanosoma cruzi 2 0.7520
Prostaglandin F2a synthase Q8I6L9 Q8I6L9_TRYCR Trypanosoma cruzi 2 0.7520
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7518
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7518
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7515
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7515
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 3 0.7512
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 3 0.7512
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7502
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7502
NADPH dehydrogenase 1 Q02899 OYE1_SACPS Saccharomyces pastorianus 2 0.7499
NADPH dehydrogenase 1 Q02899 OYE1_SACPS Saccharomyces pastorianus 2 0.7499
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 2 0.7496
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 2 0.7496
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7493
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7493
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7483
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7483
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 2 0.7478
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 2 0.7478
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7470
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7470
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7457
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7457
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7456
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7456
3-alpha-hydroxysteroid dehydrogenase P23457 DIDH_RAT Rattus norvegicus 2 0.7456
3-alpha-hydroxysteroid dehydrogenase P23457 DIDH_RAT Rattus norvegicus 2 0.7456
Nuclear receptor subfamily 4immunitygroup A member 1 P22736 NR4A1_HUMAN Homo sapiens 2 0.7453
Nuclear receptor subfamily 4immunitygroup A member 1 P22736 NR4A1_HUMAN Homo sapiens 2 0.7453
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7451
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7451
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7445
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7445
Cystathionine gamma-synthase P56069 METB_HELPY Helicobacter pylori 3 0.7442
Cystathionine gamma-synthase P56069 METB_HELPY Helicobacter pylori 3 0.7442
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7441
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7441
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7434
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7434
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7433
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7433
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7431
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 2 0.7431
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7431
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 2 0.7431
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7429
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7429
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7411
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7411
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7402
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7402
Flavoredoxin Q72HI0 Q72HI0_THET2 Thermus thermophilus 2 0.7394
Flavoredoxin Q72HI0 Q72HI0_THET2 Thermus thermophilus 2 0.7394
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7392
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7392
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7392
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7392
Ceramide transfer protein Q9Y5P4 CERT_HUMAN Homo sapiens 2 0.7386
Ceramide transfer protein Q9Y5P4 CERT_HUMAN Homo sapiens 2 0.7386
4-hydroxyphenylacetate 3-monooxygenase, reductase component Q5SJP7 HPAC_THET8 Thermus thermophilus 3 0.7373
4-hydroxyphenylacetate 3-monooxygenase, reductase component Q5SJP7 HPAC_THET8 Thermus thermophilus 3 0.7373
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7369
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7369
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q8N5Z0 AADAT_HUMAN Homo sapiens 2 0.7366
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q8N5Z0 AADAT_HUMAN Homo sapiens 2 0.7366
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7359
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7359
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7356
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7356
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 2 0.7349
Retinol-binding protein 4 P18902 RET4_BOVIN Bos taurus 2 0.7349
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7345
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7345
Reaction center protein L chain P0C0Y7 RCEH_RHOSH Rhodobacter sphaeroides 3 0.7341
Reaction center protein L chain P0C0Y7 RCEH_RHOSH Rhodobacter sphaeroides 3 0.7341
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7341
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7341
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7322
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7322
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7316
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7316
Flavin reductase like domain-containing protein Q4UKE8 Q4UKE8_RICFE Rickettsia felis 3 0.7315
Flavin reductase like domain-containing protein Q4UKE8 Q4UKE8_RICFE Rickettsia felis 3 0.7315
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 2 0.7310
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 2 0.7310
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7290
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7290
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7289
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7289
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7276
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7276
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7273
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7273
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial Q0QF01 SDHA_PIG Sus scrofa 3 0.7270
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial Q0QF01 SDHA_PIG Sus scrofa 3 0.7270
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial Q33862 Q33862_ASCSU Ascaris suum 3 0.7268
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial Q33862 Q33862_ASCSU Ascaris suum 3 0.7268
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 2 0.7265
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 2 0.7265
Pyridoxal kinase O00764 PDXK_HUMAN Homo sapiens 2 0.7254
Pyridoxal kinase O00764 PDXK_HUMAN Homo sapiens 2 0.7254
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7248
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7248
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7245
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7245
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7234
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 2 0.7234
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7226
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7226
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7220
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7220
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7215
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7215
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 2 0.7215
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7215
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7215
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 2 0.7215
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7212
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7212
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7202
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7202
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7201
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7201
D-alanyl-D-alanine carboxypeptidase P15555 DAC_STRSR Streptomyces sp 2 0.7198
D-alanyl-D-alanine carboxypeptidase P15555 DAC_STRSR Streptomyces sp 2 0.7198
Camphor 5-monooxygenase P00183 CPXA_PSEPU Pseudomonas putida 3 0.7193
Camphor 5-monooxygenase P00183 CPXA_PSEPU Pseudomonas putida 3 0.7193
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7192
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7192
Metallo-beta-lactamase type 2 P26918 BLAB_AERHY Aeromonas hydrophila 2 0.7189
Metallo-beta-lactamase type 2 P26918 BLAB_AERHY Aeromonas hydrophila 2 0.7189
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7188
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7188
ADP-ribosylation factor 1 P84080 ARF1_BOVIN Bos taurus 2 0.7187
ADP-ribosylation factor 1 P84080 ARF1_BOVIN Bos taurus 2 0.7187
Rhodopsin P02699 OPSD_BOVIN Bos taurus 2 0.7185
Rhodopsin P02699 OPSD_BOVIN Bos taurus 2 0.7185
Trichodiene synthase P13513 TRI5_FUSSP Fusarium sporotrichioides 2 0.7177
Trichodiene synthase P13513 TRI5_FUSSP Fusarium sporotrichioides 2 0.7177
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7176
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7176
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7173
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7173
Carbonic anhydrase 1 P00915 CAH1_HUMAN Homo sapiens 2 0.7169
Carbonic anhydrase 1 P00915 CAH1_HUMAN Homo sapiens 2 0.7169
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 2 0.7157
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 2 0.7157
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7147
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7147
Gastrotropin P51161 FABP6_HUMAN Homo sapiens 2 0.7143
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7143
Gastrotropin P51161 FABP6_HUMAN Homo sapiens 2 0.7143
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7143
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7141
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 2 0.7141
L-lactate dehydrogenase A chain P13491 LDHA_RABIT Oryctolagus cuniculus 2 0.7140
L-lactate dehydrogenase A chain P13491 LDHA_RABIT Oryctolagus cuniculus 2 0.7140
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7139
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7139
3-phosphoinositide-dependent protein kinase 1 O15530 PDPK1_HUMAN Homo sapiens 3 0.7134
3-phosphoinositide-dependent protein kinase 1 O15530 PDPK1_HUMAN Homo sapiens 3 0.7134
Glycolate oxidase P05414 GOX_SPIOL Spinacia oleracea 3 0.7130
Glycolate oxidase P05414 GOX_SPIOL Spinacia oleracea 3 0.7130
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7128
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7128
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 2 0.7128
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 2 0.7128
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7120
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7120
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7118
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7118
Cellular retinoic acid-binding protein 2 P29373 RABP2_HUMAN Homo sapiens 2 0.7118
Cellular retinoic acid-binding protein 2 P29373 RABP2_HUMAN Homo sapiens 2 0.7118
L-lactate dehydrogenase A chain P04642 LDHA_RAT Rattus norvegicus 2 0.7114
L-lactate dehydrogenase A chain P04642 LDHA_RAT Rattus norvegicus 2 0.7114
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7106
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 2 0.7106
Fatty acid-binding protein 10-A, liver basic Q9I8L5 FA10A_DANRE Danio rerio 2 0.7103
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7103
Fatty acid-binding protein 10-A, liver basic Q9I8L5 FA10A_DANRE Danio rerio 2 0.7103
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7103
Carbonic anhydrase Q39588 Q39588_CHLRE Chlamydomonas reinhardtii 2 0.7101
Carbonic anhydrase Q39588 Q39588_CHLRE Chlamydomonas reinhardtii 2 0.7101
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7096
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7096
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7096
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7096
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7096
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7096
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7093
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7093
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7090
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7090
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7090
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7090
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7090
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7090
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7079
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7079
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7078
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7078
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7074
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7074
Steroid 21-hydroxylase P08686 CP21A_HUMAN Homo sapiens 2 0.7068
Steroid 21-hydroxylase P08686 CP21A_HUMAN Homo sapiens 2 0.7068
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7063
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7063
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7058
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7058
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7052
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7052
Phosphotriesterase Q5KZU5 Q5KZU5_GEOKA Geobacillus kaustophilus 2 0.7044
Phosphotriesterase Q5KZU5 Q5KZU5_GEOKA Geobacillus kaustophilus 2 0.7044
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 2 0.7043
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 2 0.7043
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7042
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7042
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7039
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7039
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7028
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 2 0.7028
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 2 0.7026
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 2 0.7026
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 2 0.7025
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 2 0.7025
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7024
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7024
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7023
Biflaviolin synthase CYP158A1 Q9KZF5 C1581_STRCO Streptomyces coelicolor / M145) 2 0.7023
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7023
Biflaviolin synthase CYP158A1 Q9KZF5 C1581_STRCO Streptomyces coelicolor / M145) 2 0.7023
Acidic phospholipase A2 3 P60045 PA2A3_NAJSG Naja sagittifera 2 0.7017
Acidic phospholipase A2 3 P60045 PA2A3_NAJSG Naja sagittifera 2 0.7017
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7016
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7016
Cytochrome P450 Q93H81 Q93H81_STRAX Streptomyces avermitilis 2 0.7003
Cytochrome P450 Q93H81 Q93H81_STRAX Streptomyces avermitilis 2 0.7003

Download SDF