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TargetLanosterol 14-alpha demethylase [F78L]
LigandBDBM25810
Substrate/CompetitorBDBM10852
Meas. Tech.Ligand Binding Assay
pH7.5±n/a
Temperature310.15±n/a K
Kd 19500±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 Chemother51:3915-23 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Lanosterol 14-alpha demethylase [F78L]
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
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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