Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLanosterol 14-alpha demethylase
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 Chemother51:3915-23 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Lanosterol 14-alpha demethylase
Name:Lanosterol 14-alpha demethylase
Synonyms:CP51_MYCTO | CYPLI | Cytochrome P450 51(CYP51) | P450-14DM | P450-LIA1 | Sterol 14-alpha demethylase | cyp51
Type:Monooxygenase; oxidoreductase
Mol. Mass.:50869.67
Organism:Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Description:P9WPP8
Residue:451
Sequence:
MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE
FFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ
VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA
YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR
FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA
LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP
DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA
QPPESYRNDHSKMVVQLAQPACVRYRRRTGV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: