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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | UDP-glucuronosyltransferase 1A1 | ||
| Ligand | BDBM50022815 | ||
| Substrate/Competitor | β-estradiol | ||
| Meas. Tech. | UDP-glucuronosyltransferase Activity Assay | ||
| IC50 | 4.8e+4± 1.2e+4 nM | ||
| Citation |  Liu, Y; She, M; Wu, Z; Dai, R The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors. J Enzyme Inhib Med Chem26:386-93 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| UDP-glucuronosyltransferase 1A1 | |||
| Name: | UDP-glucuronosyltransferase 1A1 | ||
| Synonyms: | Bilirubin-specific UDPGT isozyme 1 | GNT1 | UD11_HUMAN | UDP-glucuronosyltransferase 1-1 | UDP-glucuronosyltransferase 1-A | UDP-glucuronosyltransferase 1A1 | UDPGT 1-1 | UGT-1A | UGT1 | UGT1*1 | UGT1-01 | UGT1.1 | UGT1A | UGT1A1 | Uridine-5'-diphosphoglucuronosyltransferase 1A1 | hUG-BR1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 59604.34 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P22309 | ||
| Residue: | 533 | ||
| Sequence: |
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| BDBM50022815 | |||
| β-estradiol | |||
| Name | BDBM50022815 | ||
| Synonyms: | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone | 30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | 30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CYCLOSPORINE | Cyclosporin A | Cyclosporine A | Cyclosproine A | US10077289, Compound Cyclosporin A | US9138393, Cyclosporin A | ||
| Type | Small organic molecule | ||
| Emp. Form. | C62H111N11O12 | ||
| Mol. Mass. | 1202.6112 | ||
| SMILES | CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| | ||
| Structure | 
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