Octocrylene - Compound Card

Octocrylene

Select a section from the left sidebar

Octocrylene

Structure
Zoomed Structure
  • Family: Plantae - Chenopodiaceae
  • Kingdom: Plantae
  • Class: Ester
Canonical Smiles CCCCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC
InChI InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChIKey FMJSMJQBSVNSBF-UHFFFAOYSA-N
Formula C24H27NO2
HBA 3
HBD 0
MW 361.49
Rotatable Bonds 9
TPSA 50.09
LogP 5.77
Number Rings 2
Number Aromatic Rings 2
Heavy Atom Count 27
Formal Charge 0
Fraction CSP3 0.33
Exact Mass 361.2
Number of Lipinski Rule Violations 1
# Species Family Kingdom NCBI Taxonomy ID
1 Haloxylon scoparium Chenopodiaceae Plantae 1665493

Showing of synonyms

  • Lachkar N, Lamchouri F, et al. (2021). Chemical composition, phenolic content and antioxidant capacity of Haloxylon scoparium extracts. Evidence-based complementary and alternative medicine : eCAM, 2021, 2021, 9011168. [View] [PubMed]
CPRiL: 61493
Structure

SMILES: c1ccccc1C(=C)c2ccccc2

Level: 1

Mol. Weight: 361.49 g/mol

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 361.49 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.79
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.45
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.16

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Non-Penetrable
Fraction Unbound (Human)
1.06
Plasma Protein Binding
65.7
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
4.0
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Safe
Bioconcentration Factor
2.07
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Safe
Maximum Tolerated Dose
-0.36
Liver Injury II
Toxic
hERG Blockers
Toxic
Daphnia Maga
7.49
Micronucleos
Toxic
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
-1.13
Rat (Acute)
1.76
Rat (Chronic Oral)
2.13
Fathead Minnow
5.28
Respiratory Disease
Safe
Skin Sensitisation
Toxic
SR-ARE
Toxic
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Toxic
SR-p53
Safe

General Properties

Boiling Point
422.61
Hydration Free Energy
-5.04
Log(D) at pH=7.4
5.32
Log(P)
6.82
Log S
-7.58
Log(Vapor Pressure)
-7.18
Melting Point
56.13
pKa Acid
8.96
pKa Basic
4.31
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.9538
Reductase homolog Q9ZGC1 Q9ZGC1_STRCY Streptomyces cyanogenus 4 0.9512
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.9407
Glycogen synthase Q9V2J8 Q9V2J8_PYRAB Pyrococcus abyssi 3 0.9379
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.9282
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.9252
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.9014
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 3 0.8928
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8863
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8815
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8807
Vitamin D(3) 25-hydroxylase C4B644 CPVDH_PSEAH Pseudonocardia autotrophica 3 0.8748
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8729
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8683
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8633
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8598
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.8591
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.8588
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 3 0.8442
Sterol 14alpha-demethylase P9WPP9 CP51_MYCTU Mycobacterium tuberculosis 3 0.8426
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8420
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 3 0.8415
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.8172
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.8160
Prolyl endopeptidase P23687 PPCE_PIG Sus scrofa 3 0.8112
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8099
Cytochrome P450 S6BVH1 S6BVH1_RHOER Rhodococcus erythropolis 3 0.8091
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.8076
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.8058
Phosphodiesterase Q53I60 Q53I60_TRYCR Trypanosoma cruzi 3 0.8035
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.8025
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.8013
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 2 0.7994
Genome polyprotein O92972 POLG_HCVJ4 Hepatitis C virus genotype 1b 3 0.7989
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7970
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7950
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7936
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 3 0.7928
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7909
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7900
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7875
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7862
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7860
Lactoperoxidase A0A452E9Y6 PERL_CAPHI Capra hircus 2 0.7860
Putative protease I Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron 2 0.7856
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7849
Carbonyl reductase [NADPH] 1 P16152 CBR1_HUMAN Homo sapiens 2 0.7843
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7836
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 2 0.7831
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7828
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7823
Protein ppBat Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron VPI-5482 2 0.7812
Pteridine reductase O76290 O76290_TRYBB Trypanosoma brucei brucei 3 0.7808
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7797
Angiotensin-converting enzyme 2 Q9BYF1 ACE2_HUMAN Homo sapiens 2 0.7780
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7768
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7764
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7743
Thymidylate synthase P0A886 TYSY_ECO57 Escherichia coli O157:H7 2 0.7741
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7738
4-hydroxyphenylacetate 3-monooxygenase Q8YHT7 Q8YHT7_BRUME Brucella melitensis biotype 1 2 0.7730
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 3 0.7726
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7725
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7724
Succinate dehydrogenase flavoprotein subunit P0AC41 SDHA_ECOLI Escherichia coli 3 0.7711
Tyrosine-protein kinase HCK P08631 HCK_HUMAN Homo sapiens 2 0.7710
Protein S100-A13 Q99584 S10AD_HUMAN Homo sapiens 2 0.7707
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7705
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 2 0.7704
Tyrosine-protein kinase HCK P08631 HCK_HUMAN Homo sapiens 2 0.7703
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7703
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 2 0.7691
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7682
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7673
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7672
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7671
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7663
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7661
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7639
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7637
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7630
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7629
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7621
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 2 0.7621
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7620
Serine/threonine-protein kinase VRK1 Q99986 VRK1_HUMAN Homo sapiens 3 0.7612
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7611
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 2 0.7606
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 2 0.7604
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7603
Putative HMP/thiamine-binding protein YkoF O34911 YKOF_BACSU Bacillus subtilis 2 0.7602
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 2 0.7602
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 3 0.7594
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7586
Lactoperoxidase P80025 PERL_BOVIN Bos taurus 2 0.7585
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7581
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7576
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7576
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7570
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7565
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7564
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7564
Myosin light chain kinase family member 4 Q86YV6 MYLK4_HUMAN Homo sapiens 3 0.7545
Cholinesterase P06276 CHLE_HUMAN Homo sapiens 2 0.7534
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 2 0.7526
Chloramphenicol acetyltransferase P62577 CAT_ECOLX Escherichia coli 2 0.7524
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7523
Cathepsin S P25774 CATS_HUMAN Homo sapiens 3 0.7521
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7519
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7519
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 2 0.7509
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7508
Thymidylate synthase P45352 TYSY_RAT Rattus norvegicus 2 0.7508
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 3 0.7505
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7502
Phospholipase A2, membrane associated P14555 PA2GA_HUMAN Homo sapiens 2 0.7500
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7497
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7492
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 2 0.7492
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7492
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7489
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.7482
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 2 0.7459
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7458
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7458
NAD(P)H dehydrogenase [quinone] 1 P15559 NQO1_HUMAN Homo sapiens 3 0.7452
Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2_HUMAN Homo sapiens 3 0.7449
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7446
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7444
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7441
Proto-oncogene tyrosine-protein kinase receptor Ret P07949 RET_HUMAN Homo sapiens 2 0.7441
Methyl-branched lipid omega-hydroxylase P9WPP3 CP124_MYCTU Mycobacterium tuberculosis 3 0.7438
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 2 0.7438
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 2 0.7435
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 3 0.7434
Steroid hormone receptor ERR1 P11474 ERR1_HUMAN Homo sapiens 3 0.7431
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 3 0.7431
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7419
Glutathione S-transferase P P09211 GSTP1_HUMAN Homo sapiens 2 0.7418
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7416
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7414
Dipeptidyl peptidase 4 P14740 DPP4_RAT Rattus norvegicus 2 0.7409
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7409
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7407
Flavoredoxin Q72HI0 Q72HI0_THET2 Thermus thermophilus 2 0.7403
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7401
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7391
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7387
Abscisic acid receptor PYL3 Q9SSM7 PYL3_ARATH Arabidopsis thaliana 2 0.7376
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7370
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7369
Inorganic pyrophosphatase Q3JUV5 Q3JUV5_BURP1 Burkholderia pseudomallei 2 0.7369
prolyl oligopeptidase Q9X6R4 Q9X6R4_AERCA Aeromonas caviae 2 0.7368
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 2 0.7366
Proto-oncogene tyrosine-protein kinase Src P12931 SRC_HUMAN Homo sapiens 2 0.7364
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7363
Protein LlR18A P52778 L18A_LUPLU Lupinus luteus 2 0.7362
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7358
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 2 0.7356
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 2 0.7355
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7344
Pyridoxal kinase P82197 PDXK_SHEEP Ovis aries 2 0.7343
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 3 0.7341
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7339
Interleukin-2 P60568 IL2_HUMAN Homo sapiens 2 0.7339
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7332
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7331
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7331
Rhodopsin P02699 OPSD_BOVIN Bos taurus 3 0.7328
Metallo-beta-lactamase type 2 P52699 BLAB_SERMA Serratia marcescens 3 0.7323
Glutathione S-transferase P P09211 GSTP1_HUMAN Homo sapiens 2 0.7322
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7312
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 2 0.7305
2-Hydroxyacid oxidase 1 Q9UJM8 HAOX1_HUMAN Homo sapiens 3 0.7304
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7303
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 2 0.7302
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7298
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7295
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7291
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7288
cGMP-dependent protein kinase 2 Q13237 KGP2_HUMAN Homo sapiens 2 0.7287
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 2 0.7285
Proto-oncogene tyrosine-protein kinase Src P12931 SRC_HUMAN Homo sapiens 2 0.7285
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7280
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7269
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 3 0.7266
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7265
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 2 0.7265
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7257
EbrA repressor Q79SH7 Q79SH7_STRLI Streptomyces lividans 2 0.7256
Cathepsin S P25774 CATS_HUMAN Homo sapiens 2 0.7252
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7252
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 2 0.7246
Anthranilate phosphoribosyltransferase P9WFX5 TRPD_MYCTU Mycobacterium tuberculosis 2 0.7242
Pteridine reductase 1 Q01782 PTR1_LEIMA Leishmania major 2 0.7238
Cytochrome P450 130 P9WPN5 CP130_MYCTU Mycobacterium tuberculosis 2 0.7235
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7230
L-lactate dehydrogenase A chain P04642 LDHA_RAT Rattus norvegicus 2 0.7226
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7222
Histone-lysine N-methyltransferase SETD7 Q8WTS6 SETD7_HUMAN Homo sapiens 3 0.7222
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 2 0.7221
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7221
Proto-oncogene tyrosine-protein kinase Src P00523 SRC_CHICK Gallus gallus 2 0.7219
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7211
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 2 0.7208
Oxysterols receptor LXR-beta P55055 NR1H2_HUMAN Homo sapiens 3 0.7204
Retinoic acid receptor RXR Q8T5C6 RXR_BIOGL Biomphalaria glabrata 3 0.7197
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7188
Cathepsin S P25774 CATS_HUMAN Homo sapiens 2 0.7188
Prostaglandin reductase 3 Q8N4Q0 PTGR3_HUMAN Homo sapiens 2 0.7185
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7183
Glucose-1-phosphate thymidylyltransferase Q9AGY4 Q9AGY4_ANETH Aneurinibacillus thermoaerophilus 3 0.7181
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7176
Ketohexokinase P50053 KHK_HUMAN Homo sapiens 2 0.7169
Calmodulin P62157 CALM_BOVIN Bos taurus 3 0.7155
E3 ubiquitin-protein ligase Mdm2 Q00987 MDM2_HUMAN Homo sapiens 3 0.7151
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7143
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7141
Streptogramin A acetyltransferase P50870 VATD_ENTFC Enterococcus faecium 2 0.7132
Renin P00797 RENI_HUMAN Homo sapiens 2 0.7131
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 3 0.7127
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 2 0.7127
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7125
Vascular endothelial growth factor receptor 2 P35968 VGFR2_HUMAN Homo sapiens 3 0.7125
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7124
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7123
Cytochrome P450 2C9 P11712 CP2C9_HUMAN Homo sapiens 2 0.7121
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7118
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 2 0.7118
Dipeptidyl peptidase 4 P27487 DPP4_HUMAN Homo sapiens 2 0.7109
Chitinase Q54276 Q54276_SERMA Serratia marcescens 2 0.7096
F420-dependent methylenetetrahydromethanopterin dehydrogenase P94951 MTD_METKA Methanopyrus kandleri 2 0.7094
cGMP-specific 3',5'-cyclic phosphodiesterase O76074 PDE5A_HUMAN Homo sapiens 3 0.7090
Virginiamycin A acetyltransferase P26839 VATA_STAAU Staphylococcus aureus 3 0.7071
Methionine aminopeptidase P0AE18 MAP1_ECOLI Escherichia coli 2 0.7067
Hematopoietic prostaglandin D synthase O60760 HPGDS_HUMAN Homo sapiens 2 0.7066
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7064
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7059
Kinesin-like protein KIF11 P52732 KIF11_HUMAN Homo sapiens 2 0.7056
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7054
Plasma membrane ATPase Q42932 Q42932_NICPL Nicotiana plumbaginifolia 2 0.7053
Aldo-keto reductase family 1 member B1 P80276 ALDR_PIG Sus scrofa 3 0.7051
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 2 0.7050
GCN5-related N-acetyltransferase B1YEL6 B1YEL6_EXIS2 Exiguobacterium sibiricum 3 0.7044
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7042
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7032
Multidrug transporter MdfA P0AEY8 MDFA_ECOLI Escherichia coli 3 0.7027
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7021
Tyrosine-protein kinase JAK3 P52333 JAK3_HUMAN Homo sapiens 2 0.7020
Odorant binding protein ASP1 Q8WRW5 Q8WRW5_APIME Apis mellifera 2 0.7018
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7012
Adenylate cyclase type 5 P30803 ADCY5_CANLF Canis lupus familiaris 3 0.7011
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 2 0.7010
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7009
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7006
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q8N5Z0 AADAT_HUMAN Homo sapiens 2 0.7004
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 3 0.7001

Download SDF