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TargetCytochrome P450 51(CYP51) Mutant (F78L)
LigandBDBM25816
Substrate/CompetitorBDBM10852
Meas. Tech.Ligand Binding Assay
pH7.5±n/a
Temperature310.15±n/a K
Kd 23200±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) Mutant (F78L)
Name:Cytochrome P450 51(CYP51) Mutant (F78L)
Synonyms:Mbt CYP51 active site mutant
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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  Blast E-value cutoff:
BDBM25816
BDBM10852
NameBDBM25816
Synonyms:2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenyl-N-(pyridin-4-yl)acetamide | Compound C481-0205 (BSPPA)
TypeSmall organic molecule
Emp. Form.C19H15N5O3S2
Mol. Mass.425.484
SMILESO=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
Structure
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