| Reaction Details |
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 | Report a problem with these data |
| Target | Lanosterol 14-alpha demethylase |
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| Ligand | BDBM25810 |
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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 | 5000±n/a nM |
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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 Chemother51:3915-23 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Lanosterol 14-alpha demethylase |
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| Name: | Lanosterol 14-alpha demethylase |
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| Synonyms: | CP51_MYCTO | CYPLI | Cytochrome P450 51(CYP51) | P450-14DM | P450-LIA1 | Sterol 14-alpha demethylase | cyp51 |
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| Type: | Monooxygenase; oxidoreductase |
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| Mol. Mass.: | 50869.67 |
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| Organism: | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) |
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| Description: | P9WPP8 |
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| Residue: | 451 |
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| Sequence: | MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE
FFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ
VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA
YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR
FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA
LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP
DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA
QPPESYRNDHSKMVVQLAQPACVRYRRRTGV
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| BDBM25810 |
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| BDBM10852 |
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| Name | BDBM25810 |
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| Synonyms: | 2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-pyridin-4-ylbutanamide | Compound 3937-0152 (EPBA) | JMC522846 Compound 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H16N2O |
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| Mol. Mass. | 240.3003 |
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| SMILES | CCC(C(=O)Nc1ccncc1)c1ccccc1 |
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| Structure | 
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