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Target
Vitamin K epoxide reductase complex subunit 1
Ligand
BDBM50343352
Substrate
n/a
Meas. Tech.
ChEMBL_1930830 (CHEMBL4434081)
IC50
8.8±n/a nM
Citation
 Xing, H; Houston, SD; Chen, X; Jin, DY; Savage, GP; Tie, JK; Williams, CM Determining the necessity of phenyl ring ?-character in warfarin. Bioorg Med Chem Lett 29:1954-1956 (2019) [PubMed]  Article 
Target
Name:
Vitamin K epoxide reductase complex subunit 1
Synonyms:
VKOR | VKOR1_HUMAN | VKORC1 | Vitamin K epoxide reductase complex subunit 1 | Vitamin K epoxide reductase complex subunit 1 (hVKORC1) | Vitamin K1 2,3-epoxide reductase subunit 1 | Vitamin k epoxide reductase complex subunit 1 isoform 1
Type:
Enzyme
Mol. Mass.:
18244.90
Organism:
Homo sapiens (Human)
Description:
Q9BQB6
Residue:
163
Sequence:
MGSTWGSPGWVRLALCLTGLVLSLYALHVKAARARDRDYRALCDVGTAISCSRVFSSRWGRGFGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTRWASVLMLLSSLVSLAGSVYLAWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQEPQGKAKRH
  
Inhibitor
Name:
BDBM50343352
Synonyms:
2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one | 4-(4-hydroxy-2-oxo-2H-3-chromenyl)-4-phenyl-2-butanone | 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | CHEMBL1464 | Coumadin | Jantoven | Warfarin4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | wafarin | warfarin | warfarine
Type:
Small organic molecule
Emp. Form.:
C19H16O4
Mol. Mass.:
308.3279
SMILES:
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Structure:
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