Reaction Details Report a problem with these data
Target
Lanosterol 14-alpha demethylase
Ligand
BDBM25815
Substrate
BDBM10852
Meas. Tech.
Ligand Binding Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Kd
7500±n/a nM
Comments
Kd from 5 to 10 uM.
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:
BDBM25815
Synonyms:
2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethan-1-amine | 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]ethanamine | Compound 3683-0555
Type:
Small organic molecule
Emp. Form.:
C17H27NO2
Mol. Mass.:
277.4018
SMILES:
CCC1(C)CC(CCN)(CCO1)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate