Reaction Details |
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Target | Lanosterol 14-alpha demethylase [F78L] |
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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 | 19500±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 [F78L] |
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Name: | Lanosterol 14-alpha demethylase [F78L] |
Synonyms: | CP51_MYCTO | Cytochrome P450 51(CYP51) Mutant (F78L) | Mbt CYP51 active site mutant | cyp51 |
Type: | Enzyme |
Mol. Mass.: | 50835.66 |
Organism: | Mycobacterium tuberculosis |
Description: | The recombinant Mbt CYP51 (F78L) expressed in E. coli was used in binding assay. |
Residue: | 451 |
Sequence: | MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE
FFFRAGDDDLDQAKAYPLMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ
VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA
YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR
FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA
LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP
DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA
QPPESYRNDHSKMVVQLAQPACVRYRRRTGV
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BDBM25810 |
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BDBM10852 |
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Name | BDBM25810 |
Synonyms: | 2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-pyridin-4-ylbutanamide | Compound 3937-0152 (EPBA) | JMC522846 Compound 5 |
Type | Small organic molecule |
Emp. Form. | C15H16N2O |
Mol. Mass. | 240.3003 |
SMILES | CCC(C(=O)Nc1ccncc1)c1ccccc1 |
Structure |
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