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Target
Lanosterol 14-alpha demethylase
Ligand
BDBM25807
Substrate
BDBM10852
Meas. Tech.
Ligand Binding Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Kd
28000±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:
BDBM25807
Synonyms:
4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)carbonyl]phenol | Bis(p-hydroxy)benzophenone | Compound 0627-0373 (DHBP) | US9688816, N
Type:
Small organic molecule
Emp. Form.:
C13H10O3
Mol. Mass.:
214.2167
SMILES:
Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Structure:
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Substrate