| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 51(CYP51) |
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| Ligand | BDBM25808 |
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| Substrate/Competitor | BDBM10852 |
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| Meas. Tech. | Ligand Binding Assay |
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| pH | 7.5±n/a |
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| Temperature | 310.15±n/a K |
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| Kd | 37500±n/a nM |
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| Comments | Kd from 25 to 50 uM. |
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| Citation |  Podust LM; von Kries JP; Eddine AN; Kim Y; Yermalitskaya LV; Kuehne R; Ouellet H; Warrier T; Alteköster M; Lee JS; Rademann J; Oschkinat H; Kaufmann SH; Waterman MR Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography. Antimicrob Agents Chemother 51:3915-23 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Cytochrome P450 51(CYP51) |
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| Name: | Cytochrome P450 51(CYP51) |
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| Synonyms: | CYPLI | Lanosterol 14-alpha demethylase | P450-14DM | P450-LIA1 | Sterol 14-alpha demethylase |
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| Type: | Monooxygenase; oxidoreductase |
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| Mol. Mass.: | 50869.67 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | The recombinant Mbt CYP51 expressed in E. coli was used in binding assay. |
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| Residue: | 451 |
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| Sequence: | MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE
FFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ
VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA
YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR
FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA
LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP
DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA
QPPESYRNDHSKMVVQLAQPACVRYRRRTGV
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| BDBM25808 |
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| BDBM10852 |
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| Name | BDBM25808 |
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| Synonyms: | 2,7-Dihydroxy-9-fluorenone | 2,7-dihydroxy-9H-fluoren-9-one | Compound 0356-0002 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H8O3 |
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| Mol. Mass. | 212.2008 |
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| SMILES | Oc1ccc2-c3ccc(O)cc3C(=O)c2c1 |
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| Structure | 
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