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Target
Lanosterol 14-alpha demethylase
Ligand
BDBM25806
Substrate
BDBM10852
Meas. Tech.
Ligand Binding Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Kd
100000±n/a nM
Citation
 Podust, LM; von Kries, JP; Eddine, AN; Kim, Y; Yermalitskaya, LV; Kuehne, R; Ouellet, H; Warrier, T; Alteköster, M; Lee, JS; Rademann, J; Oschkinat, H; Kaufmann, SH; Waterman, 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 
Target
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:
MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANEFFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQVRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLAYVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPRFSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHALRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFPDPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMAQPPESYRNDHSKMVVQLAQPACVRYRRRTGV
  
Inhibitor
Name:
BDBM25806
Synonyms:
(13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,13,14-triol | Epiestriol | Estriol
Type:
Steroid
Emp. Form.:
C18H24O3
Mol. Mass.:
288.3814
SMILES:
C[C@]12CCC3C(CCc4cc(O)ccc34)C1C[C@@H](O)[C@@H]2O |r|
Structure:
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Substrate