Aesculetin - Compound Card

Aesculetin

Select a section from the left sidebar

Aesculetin

Structure
Zoomed Structure
  • Family: Plantae - Chenopodiaceae
  • Kingdom: Plantae
  • Class: Coumarin
    • Subclass: Sesquiterpene-Coumarin Ether
Canonical Smiles O=c1ccc2c(o1)cc(c(c2)O)O
InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
Formula C9H6O4
HBA 4
HBD 2
MW 178.14
Rotatable Bonds 0
TPSA 70.67
LogP 1.2
Number Rings 2
Number Aromatic Rings 2
Heavy Atom Count 13
Formal Charge 0
Fraction CSP3 0.0
Exact Mass 178.03
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Babcockia platylepsis Asteraceae Plantae 43189
2 Casimiroa edulis Rutaceae Plantae 68535
3 Embergeria grandifolia Asteraceae Plantae 43192
4 Sonchus asper Asteraceae Plantae 50193
5 Sonchus macrocarpus Asteraceae Plantae 2984305
6 Sonchus maritimus Asteraceae Plantae 50206
7 Sonchus crassifolius Asteraceae Plantae 381731
8 Sonchus arvensis Asteraceae Plantae 50192
9 Sonchus brachyotus Asteraceae Plantae 381730
10 Sonchus acaulis Asteraceae Plantae 50191
11 Sonchus gomerensis Asteraceae Plantae 1519691
12 Sonchus gummifer Asteraceae Plantae 159710
13 Sonchus ustulatus Asteraceae Plantae 50215
14 Sonchus fauces-orci Asteraceae Plantae 50199
15 Sonchus brachylobus Asteraceae Plantae 50195
16 Sonchus palmensis Asteraceae Plantae 50209
17 Sonchus fruticosus Asteraceae Plantae 50200
18 Sonchus lidii Asteraceae Plantae 50190
19 Sonchus schweinfurthii Asteraceae Plantae 50213
20 Sonchus bipontini Asteraceae Plantae 381729
21 Sonchus luxurians Asteraceae Plantae 50205
22 Sonchus melanolepis Asteraceae Plantae 212303
23 Taeckholmia capillaris Asteraceae Plantae 50221
24 Taeckholmia canariensis Asteraceae Plantae 50196
25 Taeckholmia microcarpa Asteraceae Plantae 329331
26 Taeckholmia heterophylla Asteraceae Plantae 50222
27 Taeckholmia regis-jubae Asteraceae Plantae 50224
28 Bassia indica Chenopodiaceae Plantae 267517

Showing of synonyms

  • Mansour RMA, Saleh NAM, et al. (1983). A chemosystematic study of the phenolics of Sonchus.. Phytochemistry,1983,22(2),489-492. [View]
  • Othman A, Amen Y, et al. (2021). A novel acylated flavanol tetraglycoside and rare oleanane saponins with a unique acetal-linked dicarboxylic acid substituent from the xero-halophyte Bassia indica. Fitoterapia, 2021, 152, 104907. [View] [PubMed]
  • Awaad AS, Al-Jaber NA, et al. (2012). New biological activities of Casimiroa edulis leaf extract and isolated compounds. Phytotherapy Research,2012,26(3),452-457. [View] [PubMed]
Pubchem: 5281416
Kegg Ligand: C09263
Chebi: 490095
Nmrshiftdb2: 10016210
Metabolights: MTBLC490095
Pdb Ligand: HFC
Bindingdb: 34571
CPRiL: 5271
Structure

SMILES: c1cccc(c12)oc(=O)cc2

Level: 0

Mol. Weight: 178.14 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.69
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.220
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.07

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Non-Penetrable
Fraction Unbound (Human)
0.880
Plasma Protein Binding
50.62
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
9.540
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Safe
Bioconcentration Factor
0.430
Biodegradation
Toxic
Carcinogenesis
Safe
Crustacean
Safe
Liver Injury I (DILI)
Toxic
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
0.890
Liver Injury II
Safe
hERG Blockers
Safe
Daphnia Maga
4.530
Micronucleos
Toxic
NR-AhR
Toxic
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Toxic
NR-GR
Toxic
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
3.610
Rat (Acute)
1.910
Rat (Chronic Oral)
2.480
Fathead Minnow
3.970
Respiratory Disease
Toxic
Skin Sensitisation
Toxic
SR-ARE
Toxic
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Toxic
SR-p53
Safe

General Properties

Boiling Point
374.320
Hydration Free Energy
-12.590
Log(D) at pH=7.4
0.870
Log(P)
0.71
Log S
-1.9
Log(Vapor Pressure)
-6.17
Melting Point
266.33
pKa Acid
7.3
pKa Basic
6.41
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.9536
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.9536
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.9458
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.9458
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.9307
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.9307
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9231
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9231
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.9084
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.9084
rRNA N-glycosylase D9J2T9 D9J2T9_MOMBA Momordica balsamina 3 0.9070
rRNA N-glycosylase D9J2T9 D9J2T9_MOMBA Momordica balsamina 3 0.9070
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9034
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.9034
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8986
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8986
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 3 0.8839
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 3 0.8839
3'-5' exoribonuclease Rv2179c P9WJ73 EXRBN_MYCTU Mycobacterium tuberculosis 3 0.8812
3'-5' exoribonuclease Rv2179c P9WJ73 EXRBN_MYCTU Mycobacterium tuberculosis 3 0.8812
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8805
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8805
DNA polymerase III subunit epsilon P03007 DPO3E_ECOLI Escherichia coli 3 0.8804
DNA polymerase III subunit epsilon P03007 DPO3E_ECOLI Escherichia coli 3 0.8804
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 3 0.8794
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 3 0.8794
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8779
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8779
Norsolorinic acid synthase Q12053 AFLC_ASPPU Aspergillus parasiticus 3 0.8762
Norsolorinic acid synthase Q12053 AFLC_ASPPU Aspergillus parasiticus 3 0.8762
MAP kinase-activated protein kinase 2 P49137 MAPK2_HUMAN Homo sapiens 3 0.8740
MAP kinase-activated protein kinase 2 P49137 MAPK2_HUMAN Homo sapiens 3 0.8740
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8698
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8698
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8684
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.8684
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8673
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8673
Achbp I6L8L2 I6L8L2_CAPTE Capitella teleta 3 0.8662
Achbp I6L8L2 I6L8L2_CAPTE Capitella teleta 3 0.8662
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.8634
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.8634
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8629
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8629
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8624
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8624
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8601
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8601
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8468
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8468
Amine oxidase [flavin-containing] B P27338 AOFB_HUMAN Homo sapiens 3 0.8446
Amine oxidase [flavin-containing] B P27338 AOFB_HUMAN Homo sapiens 3 0.8446
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8419
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8419
Sulfotransferase 1A1 P50225 ST1A1_HUMAN Homo sapiens 3 0.8397
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.8397
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.8397
Sulfotransferase 1A1 P50225 ST1A1_HUMAN Homo sapiens 3 0.8397
Thymidine phosphorylase Q7CP66 TYPH_SALTY Salmonella typhimurium 3 0.8368
Lethal factor P15917 LEF_BACAN Bacillus anthracis 3 0.8368
Lethal factor P15917 LEF_BACAN Bacillus anthracis 3 0.8368
Thymidine phosphorylase Q7CP66 TYPH_SALTY Salmonella typhimurium 3 0.8368
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8339
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8339
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8323
Uracil phosphoribosyltransferase Q26998 UPP_TOXGO Toxoplasma gondii 3 0.8323
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8251
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8251
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 3 0.8217
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 3 0.8217
Naphthalene 1,2-dioxygenase system, large oxygenase component P0A110 NDOB_PSEPU Pseudomonas putida 3 0.8204
Naphthalene 1,2-dioxygenase system, large oxygenase component P0A110 NDOB_PSEPU Pseudomonas putida 3 0.8204
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 3 0.8158
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 3 0.8158
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8150
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8150
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8134
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8134
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8132
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.8132
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8018
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.8018
Metapyrocatechase Q7WYF5 Q7WYF5_9PSED Pseudomonas alkylphenolica 3 0.7999
Metapyrocatechase Q7WYF5 Q7WYF5_9PSED Pseudomonas alkylphenolica 3 0.7999
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7901
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7901
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7878
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 3 0.7878
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.7870
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.7870
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7811
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7811
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.7802
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.7802
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7800
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7800
Ribonuclease J H9CZL7 H9CZL7_DEIRD Deinococcus radiodurans 3 0.7780
Ribonuclease J H9CZL7 H9CZL7_DEIRD Deinococcus radiodurans 3 0.7780
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7773
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7773
Cytochrome P450 2E1 P05181 CP2E1_HUMAN Homo sapiens 3 0.7759
Cytochrome P450 2E1 P05181 CP2E1_HUMAN Homo sapiens 3 0.7759
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7756
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7756
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 2 0.7734
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 2 0.7734
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7725
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.7725
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7708
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7708
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 3 0.7650
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 3 0.7650
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7643
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7643
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7623
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7623
Tyrosine-protein kinase JAK3 P52333 JAK3_HUMAN Homo sapiens 3 0.7611
Tyrosine-protein kinase JAK3 P52333 JAK3_HUMAN Homo sapiens 3 0.7611
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.7608
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.7608
Uridine phosphorylase P0A1F6 UDP_SALTY Salmonella typhimurium 4 0.7578
Uridine phosphorylase P0A1F6 UDP_SALTY Salmonella typhimurium 4 0.7578
Poly [ADP-ribose] polymerase 1 P26446 PARP1_CHICK Gallus gallus 3 0.7509
Poly [ADP-ribose] polymerase 1 P26446 PARP1_CHICK Gallus gallus 3 0.7509
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 2 0.7462
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 2 0.7462
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 4 0.7453
Deoxycytidine kinase P27707 DCK_HUMAN Homo sapiens 4 0.7453
Biotin carboxylase P24182 ACCC_ECOLI Escherichia coli 2 0.7410
Biotin carboxylase P24182 ACCC_ECOLI Escherichia coli 2 0.7410
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7381
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7381
HD domain protein Q836G9 Q836G9_ENTFA Enterococcus faecalis 3 0.7378
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7378
HD domain protein Q836G9 Q836G9_ENTFA Enterococcus faecalis 3 0.7378
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7378
Thermolysin P00800 THER_BACTH Bacillus thermoproteolyticus 3 0.7366
Thermolysin P00800 THER_BACTH Bacillus thermoproteolyticus 3 0.7366
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7337
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7337
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 2 0.7320
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7320
Tyrosine-protein kinase SYK P43405 KSYK_HUMAN Homo sapiens 3 0.7320
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 2 0.7320
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7293
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7293
NAD-dependent protein deacetylase sirtuin-3, mitochondrial Q9NTG7 SIR3_HUMAN Homo sapiens 4 0.7291
NAD-dependent protein deacetylase sirtuin-3, mitochondrial Q9NTG7 SIR3_HUMAN Homo sapiens 4 0.7291
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 2 0.7285
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 2 0.7285
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7264
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7264
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7260
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7260
Avidin P02701 AVID_CHICK Gallus gallus 2 0.7244
Avidin P02701 AVID_CHICK Gallus gallus 2 0.7244
Ribosomal RNA small subunit methyltransferase Nep1 Q57977 NEP1_METJA Methanocaldococcus jannaschii 3 0.7225
Ribosomal RNA small subunit methyltransferase Nep1 Q57977 NEP1_METJA Methanocaldococcus jannaschii 3 0.7225
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7220
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7220
DNA (cytosine-5)-methyltransferase 1 Q9AXT8 H32_ARATH Zea mays 3 0.7199
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7199
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7199
DNA (cytosine-5)-methyltransferase 1 Q9AXT8 H32_ARATH Zea mays 3 0.7199
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7198
Nucleoside diphosphate kinase A 2 P52175 NDKA2_BOVIN Bos taurus 3 0.7198
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7198
Nucleoside diphosphate kinase A 2 P52175 NDKA2_BOVIN Bos taurus 3 0.7198
3',5'-cyclic-AMP phosphodiesterase 4B Q07343 PDE4B_HUMAN Homo sapiens 3 0.7196
3',5'-cyclic-AMP phosphodiesterase 4B Q07343 PDE4B_HUMAN Homo sapiens 3 0.7196
Formylmethanofuran--tetrahydromethanopterin formyltransferase Q49610 FTR_METKA Methanopyrus kandleri 3 0.7178
Formylmethanofuran--tetrahydromethanopterin formyltransferase Q49610 FTR_METKA Methanopyrus kandleri 3 0.7178
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 3 0.7171
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 3 0.7171
16S rRNA (guanine(1405)-N(7))-methyltransferase Q763K9 Q763K9_ECOLX Escherichia coli 3 0.7169
16S rRNA (guanine(1405)-N(7))-methyltransferase Q763K9 Q763K9_ECOLX Escherichia coli 3 0.7169
tRNA (guanine-N(1)-)-methyltransferase Q2GIL5 TRMD_ANAPZ Anaplasma phagocytophilum 3 0.7163
tRNA (guanine-N(1)-)-methyltransferase Q2GIL5 TRMD_ANAPZ Anaplasma phagocytophilum 3 0.7163
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7156
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7156
Lactose operon repressor P03023 LACI_ECOLI Escherichia coli 3 0.7152
Adenosine kinase Q9TVW2 ADK_TOXGO Toxoplasma gondii 3 0.7152
Lactose operon repressor P03023 LACI_ECOLI Escherichia coli 3 0.7152
Adenosine kinase Q9TVW2 ADK_TOXGO Toxoplasma gondii 3 0.7152
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7136
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7136
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.7127
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.7127
cGMP-dependent protein kinase 2 Q13237 KGP2_HUMAN Homo sapiens 2 0.7114
cGMP-dependent protein kinase 2 Q13237 KGP2_HUMAN Homo sapiens 2 0.7114
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7112
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7112
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7111
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7111
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 3 0.7106
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 3 0.7106
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7094
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7094
Cyclin-dependent kinase 9 P50750 CDK9_HUMAN Homo sapiens 3 0.7066
Cyclin-dependent kinase 9 P50750 CDK9_HUMAN Homo sapiens 3 0.7066
Flavin-dependent thymidylate synthase Q9WYT0 THYX_THEMA Thermotoga maritima 3 0.7063
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 3 0.7063
Flavin-dependent thymidylate synthase Q9WYT0 THYX_THEMA Thermotoga maritima 3 0.7063
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 3 0.7063
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7062
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7062
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 3 0.7051
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 3 0.7051
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 4 0.7045
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 4 0.7045
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 2 0.7043
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 2 0.7043
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7039
Histone-lysine N-methyltransferase EHMT1 Q9H9B1 EHMT1_HUMAN Homo sapiens 3 0.7039
Methyltransferase type 12 Q88JU2 Q88JU2_PSEPK Pseudomonas putida 3 0.7037
Methyltransferase type 12 Q88JU2 Q88JU2_PSEPK Pseudomonas putida 3 0.7037
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta P78356 PI42B_HUMAN Homo sapiens 3 0.7036
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta P78356 PI42B_HUMAN Homo sapiens 3 0.7036
Geranyl diphosphate 2-C-methyltransferase D3KYU3 GPPMT_STRLS Streptomyces lasalocidi 3 0.7035
Geranyl diphosphate 2-C-methyltransferase D3KYU3 GPPMT_STRLS Streptomyces lasalocidi 3 0.7035
ATP-dependent protease subunit HslV P0A7B8 HSLV_ECOLI Escherichia coli 3 0.7034
ATP-dependent protease subunit HslV P0A7B8 HSLV_ECOLI Escherichia coli 3 0.7034
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 3 0.7030
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 3 0.7030
Serine/threonine-protein kinase PLK1 P53350 PLK1_HUMAN Homo sapiens 3 0.7026
Serine/threonine-protein kinase PLK1 P53350 PLK1_HUMAN Homo sapiens 3 0.7026
Thermolysin P00800 THER_BACTH Bacillus thermoproteolyticus 3 0.7025
Thermolysin P00800 THER_BACTH Bacillus thermoproteolyticus 3 0.7025
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7021
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7021
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7018
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7018
Cytosine-specific methyltransferase Q8EVR5 Q8EVR5_MYCPE Mycoplasma penetrans 3 0.7017
Cytosine-specific methyltransferase Q8EVR5 Q8EVR5_MYCPE Mycoplasma penetrans 3 0.7017
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 Q9UL51 HCN2_HUMAN Homo sapiens 3 0.7016
Type II methyltransferase M.TaqI P14385 MTTA_THEAQ Thermus aquaticus 3 0.7016
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 Q9UL51 HCN2_HUMAN Homo sapiens 3 0.7016
Type II methyltransferase M.TaqI P14385 MTTA_THEAQ Thermus aquaticus 3 0.7016
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7003
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7003
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.7001
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.7001

Download SDF