Isohexyl dihydrocaffeate - Compound Card

Isohexyl dihydrocaffeate

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Isohexyl dihydrocaffeate

Structure
Zoomed Structure
  • Family: Plantae - Asteraceae
  • Kingdom: Plantae
  • Class: Phenolic
Canonical Smiles CC(CCCOC(=O)CCc1ccc(c(c1)O)O)C
InChI InChI=1S/C15H22O4/c1-11(2)4-3-9-19-15(18)8-6-12-5-7-13(16)14(17)10-12/h5,7,10-11,16-17H,3-4,6,8-9H2,1-2H3
InChIKey NYRGUJSEUJUXBF-UHFFFAOYSA-N
Formula C15H22O4
HBA 4
HBD 2
MW 266.34
Rotatable Bonds 7
TPSA 66.76
LogP 3.01
Number Rings 1
Number Aromatic Rings 1
Heavy Atom Count 19
Formal Charge 0
Fraction CSP3 0.53
Exact Mass 266.15
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Cheirolophus mauritanicus Asteraceae Plantae 64998

Showing of synonyms

  • Marco JA, Sanz-Cervera JF, et al. (1994). Sesquiterpene lactones, lignans and aromatic esters ftrom Cheirolophus species. Phytochemistry,1994,37(4),1101-1107. [View]
Pubchem: 162894093
Nmrshiftdb2: 60072553

No compound-protein relationship available.

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 266.34 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.66
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.44
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.47

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
0.64
Plasma Protein Binding
34.12
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
12.21
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
0.39
Biodegradation
Toxic
Carcinogenesis
Safe
Crustacean
Safe
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
0.49
Liver Injury II
Safe
hERG Blockers
Safe
Daphnia Maga
4.52
Micronucleos
Safe
NR-AhR
Safe
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Toxic
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
5.02
Rat (Acute)
1.8
Rat (Chronic Oral)
2.41
Fathead Minnow
3.96
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
343.82
Hydration Free Energy
-9.52
Log(D) at pH=7.4
2.87
Log(P)
3.18
Log S
-3.42
Log(Vapor Pressure)
-5.19
Melting Point
53.92
pKa Acid
9.56
pKa Basic
7.25
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 3 0.9497
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 3 0.9497
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 3 0.9446
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 3 0.9446
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.9379
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.9379
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9345
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9345
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.9212
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.9212
NADPH-dependent oxidoreductase 2-alkenal reductase Q39172 AER_ARATH Arabidopsis thaliana 3 0.9210
NADPH-dependent oxidoreductase 2-alkenal reductase Q39172 AER_ARATH Arabidopsis thaliana 3 0.9210
rRNA N-glycosylase D9J2T9 D9J2T9_MOMBA Momordica balsamina 3 0.9070
rRNA N-glycosylase D9J2T9 D9J2T9_MOMBA Momordica balsamina 3 0.9070
MAP kinase-activated protein kinase 2 P49137 MAPK2_HUMAN Homo sapiens 3 0.8933
MAP kinase-activated protein kinase 2 P49137 MAPK2_HUMAN Homo sapiens 3 0.8933
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8914
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8914
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8848
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8848
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.8825
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.8825
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.8817
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.8817
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8724
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8724
Caffeic acid O-methyltransferase Q9ZTU2 Q9ZTU2_LOLPR Lolium perenne 4 0.8715
Caffeic acid O-methyltransferase Q9ZTU2 Q9ZTU2_LOLPR Lolium perenne 4 0.8715
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8710
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8710
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.8682
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.8682
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8597
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8597
Cytochrome P450 S6BVH1 S6BVH1_RHOER Rhodococcus erythropolis 3 0.8595
Cytochrome P450 S6BVH1 S6BVH1_RHOER Rhodococcus erythropolis 3 0.8595
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.8555
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.8555
Serine/threonine-protein kinase PLK1 P53350 PLK1_HUMAN Homo sapiens 4 0.8554
Serine/threonine-protein kinase PLK1 P53350 PLK1_HUMAN Homo sapiens 4 0.8554
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8511
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8511
Thymidine phosphorylase Q7CP66 TYPH_SALTY Salmonella typhimurium 3 0.8431
Thymidine phosphorylase Q7CP66 TYPH_SALTY Salmonella typhimurium 3 0.8431
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8420
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8420
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8364
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8364
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8356
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8356
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8299
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8299
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8283
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8283
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8232
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8232
Glycogenin-1 P46976 GLYG_HUMAN Homo sapiens 3 0.8228
Glycogenin-1 P46976 GLYG_HUMAN Homo sapiens 3 0.8228
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8160
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8160
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.8126
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.8126
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 3 0.8085
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 3 0.8085
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.8039
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.8039
Valacyclovir hydrolase Q86WA6 BPHL_HUMAN Homo sapiens 3 0.8035
Valacyclovir hydrolase Q86WA6 BPHL_HUMAN Homo sapiens 3 0.8035
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8012
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8012
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8004
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8004
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 3 0.7949
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 3 0.7949
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7948
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7948
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 3 0.7939
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 3 0.7939
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7906
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7906
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 3 0.7890
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 3 0.7890
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7882
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7882
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7876
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7876
Ras-related protein Ral-B P11234 RALB_HUMAN Homo sapiens 3 0.7865
Ras-related protein Ral-B P11234 RALB_HUMAN Homo sapiens 3 0.7865
N-alpha-acetyltransferase 50 Q9GZZ1 NAA50_HUMAN Homo sapiens 3 0.7845
N-alpha-acetyltransferase 50 Q9GZZ1 NAA50_HUMAN Homo sapiens 3 0.7845
Thymidylate synthase P0A884 TYSY_ECOLI Escherichia coli 2 0.7827
Thymidylate synthase P0A884 TYSY_ECOLI Escherichia coli 2 0.7827
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7808
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7808
Aminoglycoside N(3)-acetyltransferase A0A3P1UCA6 Q81P86_BACAN Bacillus anthracis 3 0.7804
Aminoglycoside N(3)-acetyltransferase A0A3P1UCA6 Q81P86_BACAN Bacillus anthracis 3 0.7804
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7792
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.7792
Ribonuclease J H9CZL7 H9CZL7_DEIRD Deinococcus radiodurans 3 0.7767
Ribonuclease J H9CZL7 H9CZL7_DEIRD Deinococcus radiodurans 3 0.7767
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.7753
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.7753
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.7748
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.7748
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 3 0.7746
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 3 0.7746
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 3 0.7744
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 3 0.7744
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7713
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7713
Acyl-homoserine-lactone synthase Q4VSJ8 Q4VSJ8_BURGL Burkholderia glumae 4 0.7698
Acyl-homoserine-lactone synthase Q4VSJ8 Q4VSJ8_BURGL Burkholderia glumae 4 0.7698
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 2 0.7691
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 2 0.7691
cGMP-dependent protein kinase 1 Q13976 KGP1_HUMAN Homo sapiens 2 0.7676
cGMP-dependent protein kinase 1 Q13976 KGP1_HUMAN Homo sapiens 2 0.7676
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.7661
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.7661
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7638
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7638
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7636
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7636
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7630
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7630
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta P78356 PI42B_HUMAN Homo sapiens 3 0.7628
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta P78356 PI42B_HUMAN Homo sapiens 3 0.7628
Nucleoside diphosphate kinase A 2 P52175 NDKA2_BOVIN Bos taurus 3 0.7605
Nucleoside diphosphate kinase A 2 P52175 NDKA2_BOVIN Bos taurus 3 0.7605
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7584
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7584
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7581
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7581
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7561
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7561
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7544
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7544
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 4 0.7540
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 4 0.7540
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7538
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7538
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7507
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7507
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7505
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7505
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7504
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7504
CCA-adding enzyme O28126 CCA_ARCFU Archaeoglobus fulgidus 2 0.7493
CCA-adding enzyme O28126 CCA_ARCFU Archaeoglobus fulgidus 2 0.7493
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7480
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7480
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7454
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7454
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7443
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7443
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7442
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7442
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7435
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7435
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7412
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7412
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 3 0.7409
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 3 0.7409
Methylmalonyl-CoA decarboxylase P52045 SCPB_ECOLI Escherichia coli 3 0.7401
Methylmalonyl-CoA decarboxylase P52045 SCPB_ECOLI Escherichia coli 3 0.7401
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7400
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7400
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7385
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7385
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7377
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7377
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 2 0.7375
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 2 0.7375
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7370
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7370
Cytochrome P450 3A4 P08684 CP3A4_HUMAN Homo sapiens 3 0.7364
Cytochrome P450 3A4 P08684 CP3A4_HUMAN Homo sapiens 3 0.7364
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7354
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7354
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7351
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7351
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7350
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7350
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7350
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7350
ATP-dependent protease subunit HslV P0A7B8 HSLV_ECOLI Escherichia coli 3 0.7344
ATP-dependent protease subunit HslV P0A7B8 HSLV_ECOLI Escherichia coli 3 0.7344
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 3 0.7343
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 3 0.7343
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 3 0.7342
Endoplasmin P41148 ENPL_CANLF Canis lupus familiaris 3 0.7342
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 4 0.7332
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 4 0.7332
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7328
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7328
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 DXR_ECOLI Escherichia coli 2 0.7328
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 DXR_ECOLI Escherichia coli 2 0.7328
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7318
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7318
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7302
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7302
Mevalonate kinase P17256 KIME_RAT Rattus norvegicus 3 0.7301
Mevalonate kinase P17256 KIME_RAT Rattus norvegicus 3 0.7301
Tryptophan--tRNA ligase Q9PIB4 SYW_CAMJE Campylobacter jejuni subsp. jejuni serotype O:2 4 0.7290
Tryptophan--tRNA ligase Q9PIB4 SYW_CAMJE Campylobacter jejuni subsp. jejuni serotype O:2 4 0.7290
3-hydroxyanthranilate 3,4-dioxygenase Q1LCS4 3HAO_CUPMC Cupriavidus metallidurans 2 0.7280
3-hydroxyanthranilate 3,4-dioxygenase Q1LCS4 3HAO_CUPMC Cupriavidus metallidurans 2 0.7280
Lysosomal acid glucosylceramidase P04062 GLCM_HUMAN Homo sapiens 3 0.7278
Lysosomal acid glucosylceramidase P04062 GLCM_HUMAN Homo sapiens 3 0.7278
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7267
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7267
Trichothecene 15-O-acetyltransferase TRI3 Q9C1B7 TRI3_FUSSP Fusarium sporotrichioides 3 0.7260
Trichothecene 15-O-acetyltransferase TRI3 Q9C1B7 TRI3_FUSSP Fusarium sporotrichioides 3 0.7260
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7255
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7255
Peptidyl-prolyl cis-trans isomerase FKBP5 Q13451 FKBP5_HUMAN Homo sapiens 3 0.7254
Peptidyl-prolyl cis-trans isomerase FKBP5 Q13451 FKBP5_HUMAN Homo sapiens 3 0.7254
Serine/threonine-protein kinase SKY1 Q03656 SKY1_YEAST Saccharomyces cerevisiae 2 0.7249
Serine/threonine-protein kinase SKY1 Q03656 SKY1_YEAST Saccharomyces cerevisiae 2 0.7249
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 3 0.7246
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 3 0.7246
CalS8 Q8KNF6 Q8KNF6_MICEC Micromonospora echinospora 4 0.7245
CalS8 Q8KNF6 Q8KNF6_MICEC Micromonospora echinospora 4 0.7245
Polyribonucleotide nucleotidyltransferase A7ZS61 PNP_ECO24 Escherichia coli O139:H28 3 0.7242
Polyribonucleotide nucleotidyltransferase A7ZS61 PNP_ECO24 Escherichia coli O139:H28 3 0.7242
2-aminohexano-6-lactam racemase Q7M181 ACLR_ACHOB Achromobacter obae 3 0.7240
2-aminohexano-6-lactam racemase Q7M181 ACLR_ACHOB Achromobacter obae 3 0.7240
Virulence sensor histidine kinase PhoQ P0DM80 PHOQ_SALTY Salmonella typhimurium 3 0.7239
Virulence sensor histidine kinase PhoQ P0DM80 PHOQ_SALTY Salmonella typhimurium 3 0.7239
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7232
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7232
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7231
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7231
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7227
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7227
Avidin P02701 AVID_CHICK Gallus gallus 2 0.7226
Avidin P02701 AVID_CHICK Gallus gallus 2 0.7226
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7224
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7224
Ephrin type-B receptor 2 P54763 EPHB2_MOUSE Mus musculus 2 0.7220
Ephrin type-B receptor 2 P54763 EPHB2_MOUSE Mus musculus 2 0.7220
uroporphyrinogen-III C-methyltransferase P95417 P95417_PSEAI Pseudomonas aeruginosa 3 0.7219
uroporphyrinogen-III C-methyltransferase P95417 P95417_PSEAI Pseudomonas aeruginosa 3 0.7219
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7217
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7217
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 4 0.7216
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 4 0.7216
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7215
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7215
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7215
Coagulation factor X P00742 FA10_HUMAN Homo sapiens 3 0.7215
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7213
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7213
N-terminal acetyltransferase A complex subunit NAT1 P12945 NAT1_YEAST Saccharomyces cerevisiae 2 0.7205
N-terminal acetyltransferase A complex subunit NAT1 P12945 NAT1_YEAST Saccharomyces cerevisiae 2 0.7205
Threonine--tRNA ligase P0A8M3 SYT_ECOLI Escherichia coli 3 0.7201
Tyrosine-protein kinase JAK3 P52333 JAK3_HUMAN Homo sapiens 3 0.7201
Threonine--tRNA ligase P0A8M3 SYT_ECOLI Escherichia coli 3 0.7201
Tyrosine-protein kinase JAK3 P52333 JAK3_HUMAN Homo sapiens 3 0.7201
Ethylene receptor 1 P49333 ETR1_ARATH Arabidopsis thaliana 3 0.7195
Cyclic GMP-AMP phosphodiesterase SMPDL3A Q92484 ASM3A_HUMAN Homo sapiens 2 0.7195
Ethylene receptor 1 P49333 ETR1_ARATH Arabidopsis thaliana 3 0.7195
Cyclic GMP-AMP phosphodiesterase SMPDL3A Q92484 ASM3A_HUMAN Homo sapiens 2 0.7195
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7189
Abscisic acid receptor PYR1 O49686 PYR1_ARATH Arabidopsis thaliana 3 0.7189
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 2 0.7172
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 2 0.7172
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 3 0.7170
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 3 0.7170
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7163
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7163
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7160
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7160
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7157
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7157
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7147
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7147
HD domain protein Q836G9 Q836G9_ENTFA Enterococcus faecalis 3 0.7144
HD domain protein Q836G9 Q836G9_ENTFA Enterococcus faecalis 3 0.7144
Aspartokinase 1, chloroplastic Q9LYU8 AK1_ARATH Arabidopsis thaliana 3 0.7141
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7141
Aspartokinase 1, chloroplastic Q9LYU8 AK1_ARATH Arabidopsis thaliana 3 0.7141
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7141
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.7139
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.7139
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.7132
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.7132
DNA polymerase III subunit epsilon P03007 DPO3E_ECOLI Escherichia coli 3 0.7127
DNA polymerase III subunit epsilon P03007 DPO3E_ECOLI Escherichia coli 3 0.7127
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 2 0.7124
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 2 0.7124
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7123
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7123
Gentisate 1,2-dioxygenase Q67FT0 Q67FT0_PSESE Pseudaminobacter salicylatoxidans 2 0.7118
Gentisate 1,2-dioxygenase Q67FT0 Q67FT0_PSESE Pseudaminobacter salicylatoxidans 2 0.7118
Vitamin D-binding protein P02774 VTDB_HUMAN Homo sapiens 2 0.7118
Vitamin D-binding protein P02774 VTDB_HUMAN Homo sapiens 2 0.7118
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7114
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7114
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7110
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7110
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 3 0.7109
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 3 0.7109
Ribosomal RNA small subunit methyltransferase Nep1 Q57977 NEP1_METJA Methanocaldococcus jannaschii 3 0.7104
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7104
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7104
Ribosomal RNA small subunit methyltransferase Nep1 Q57977 NEP1_METJA Methanocaldococcus jannaschii 3 0.7104
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7103
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7103
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7101
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7101
Adenosine monophosphate-protein transferase Q8ZVF7 Q8ZVF7_PYRAE Pyrobaculum aerophilum 3 0.7099
Adenosine monophosphate-protein transferase Q8ZVF7 Q8ZVF7_PYRAE Pyrobaculum aerophilum 3 0.7099
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 3 0.7097
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 3 0.7097
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7092
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7092
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7082
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7082
Purine nucleoside phosphorylase 2 P45563 XAPA_ECOLI Escherichia coli 3 0.7077
Pyridoxal kinase O00764 PDXK_HUMAN Homo sapiens 2 0.7077
Pyridoxal kinase O00764 PDXK_HUMAN Homo sapiens 2 0.7077
Purine nucleoside phosphorylase 2 P45563 XAPA_ECOLI Escherichia coli 3 0.7077
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7072
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7072
16S rRNA (adenine(1408)-N(1))-methyltransferase A8C927 NPMA_ECOLX Escherichia coli 3 0.7064
Nucleoside permease Q9KPL5 Q9KPL5_VIBCH Vibrio cholerae serotype O1 3 0.7064
Nucleoside permease Q9KPL5 Q9KPL5_VIBCH Vibrio cholerae serotype O1 3 0.7064
16S rRNA (adenine(1408)-N(1))-methyltransferase A8C927 NPMA_ECOLX Escherichia coli 3 0.7064
Serine/threonine-protein kinase toxin HipA P23874 HIPA_ECOLI Escherichia coli 2 0.7063
Serine/threonine-protein kinase toxin HipA P23874 HIPA_ECOLI Escherichia coli 2 0.7063
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase P0AF12 MTNN_ECOLI Escherichia coli 2 0.7062
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase P0AF12 MTNN_ECOLI Escherichia coli 2 0.7062
2',3'-cyclic-nucleotide 3'-phosphodiesterase P16330 CN37_MOUSE Mus musculus 2 0.7056
2',3'-cyclic-nucleotide 3'-phosphodiesterase P16330 CN37_MOUSE Mus musculus 2 0.7056
DNA ligase P43813 DNLJ_HAEIN Haemophilus influenzae 3 0.7054
DNA ligase P43813 DNLJ_HAEIN Haemophilus influenzae 3 0.7054
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7052
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7052
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7050
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7050
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 2 0.7047
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 2 0.7047
WxcM-like protein Q12KT8 Q12KT8_SHEDO Shewanella denitrificans 3 0.7046
WxcM-like protein Q12KT8 Q12KT8_SHEDO Shewanella denitrificans 3 0.7046
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase P19992 HSD_STREX Streptomyces exfoliatus 2 0.7045
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase P19992 HSD_STREX Streptomyces exfoliatus 2 0.7045
Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH4 Q8GZB6 SUVH4_ARATH Arabidopsis thaliana 3 0.7045
Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH4 Q8GZB6 SUVH4_ARATH Arabidopsis thaliana 3 0.7045
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7044
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7044
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7044
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7044
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 3 0.7038
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 3 0.7038
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7036
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7036
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7031
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7031
Dihydropteroate synthase Q81VW8 Q81VW8_BACAN Bacillus anthracis 2 0.7022
Dihydropteroate synthase Q81VW8 Q81VW8_BACAN Bacillus anthracis 2 0.7022
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7018
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7018
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7009
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7009
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.7004
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.7004

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