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TargetCytochrome P450 51(CYP51)
LigandBDBM25810
Substrate/CompetitorBDBM10852
Meas. Tech.Ligand Binding Assay
pH7.5±n/a
Temperature310.15±n/a K
Kd 5000±n/a nM
Citation Podust LMvon Kries JPEddine ANKim YYermalitskaya LVKuehne ROuellet HWarrier TAlteköster MLee JSRademann JOschkinat HKaufmann SHWaterman 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
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cytochrome P450 51(CYP51)
Name:Cytochrome P450 51(CYP51)
Synonyms:CYPLI | Lanosterol 14-alpha demethylase | P450-14DM | P450-LIA1 | Sterol 14-alpha demethylase
Type:Monooxygenase; oxidoreductase
Mol. Mass.:50869.67
Organism:Mycobacterium tuberculosis
Description:The recombinant Mbt CYP51 expressed in E. coli was used in binding assay.
Residue:451
Sequence:
MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE
FFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ
VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA
YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR
FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA
LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP
DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA
QPPESYRNDHSKMVVQLAQPACVRYRRRTGV
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BDBM25810
BDBM10852
NameBDBM25810
Synonyms:2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-pyridin-4-ylbutanamide | Compound 3937-0152 (EPBA) | JMC522846 Compound 5
TypeSmall organic molecule
Emp. Form.C15H16N2O
Mol. Mass.240.3003
SMILESCCC(C(=O)Nc1ccncc1)c1ccccc1
Structure
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