| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1B1 |
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| Ligand | BDBM50507479 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1830136 (CHEMBL4330010) |
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| IC50 | 4.0±n/a nM |
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| Citation |  Lee, JY; Cho, H; Thangapandian, S; Lim, C; Chun, YJ; Lee, Y; Choi, S; Kim, S Adaptable Small Ligand of CYP1 Enzymes for Use in Understanding the Structural Features Determining Isoform Selectivity. ACS Med Chem Lett9:1247-1252 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1B1 |
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| Name: | Cytochrome P450 1B1 |
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| Synonyms: | CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1) |
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| Type: | PROTEIN |
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| Mol. Mass.: | 60861.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1474523 |
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| Residue: | 543 |
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| Sequence: | MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLI
GNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAF
ASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVAL
LVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSL
VDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSA
EKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAEL
DQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVV
FVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQL
FLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKE
TCQ
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| BDBM50507479 |
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| n/a |
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| Name | BDBM50507479 |
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| Synonyms: | CHEMBL4447260 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18N2O2S |
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| Mol. Mass. | 326.413 |
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| SMILES | COc1cc(OCCn2ccnc2)cc(\C=C\c2cccs2)c1 |
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| Structure | 
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