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TargetCytochrome P450 51(CYP51)
LigandBDBM25809
Substrate/CompetitorBDBM10852
Meas. Tech.Ligand Binding Assay
pH7.5±n/a
Temperature310.15±n/a K
Kd 37500±n/a nM
CommentsKd from 25 to 50 uM.
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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BDBM25809
BDBM10852
NameBDBM25809
Synonyms:3-hydroxyestra-1(10),2,4-triene-11,17-dione | 5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-14,17-dione | Compound 3529-0059
TypeSteroid
Emp. Form.C18H20O3
Mol. Mass.284.3496
SMILESCC12CC(=O)C3C(CCc4cc(O)ccc34)C1CCC2=O
Structure
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