| Reaction Details |
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 | Report a problem with these data |
| Target | Vitamin K epoxide reductase complex subunit 1 |
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| Ligand | BDBM50343352 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1930830 (CHEMBL4434081) |
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| IC50 | 8.8±n/a nM |
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| 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 Lett29:1954-1956 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Vitamin K epoxide reductase complex subunit 1 |
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| Name: | Vitamin K epoxide reductase complex subunit 1 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 18244.90 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9BQB6 |
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| Residue: | 163 |
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| Sequence: | MGSTWGSPGWVRLALCLTGLVLSLYALHVKAARARDRDYRALCDVGTAISCSRVFSSRWG
RGFGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTRWASVLMLLSSLVSLAGSVYL
AWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQEPQGKAKRH
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| BDBM50343352 |
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| n/a |
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| Name | BDBM50343352 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H16O4 |
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| Mol. Mass. | 308.3279 |
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| SMILES | CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O |
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| Structure | 
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