Reaction Details |
| Report a problem with these data |
Target | Lanosterol 14-alpha demethylase |
---|
Ligand | BDBM25817 |
---|
Substrate/Competitor | BDBM10852 |
---|
Meas. Tech. | Ligand Binding Assay |
---|
pH | 7.5±n/a |
---|
Temperature | 310.15±n/a K |
---|
Kd | 30000±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 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
|
|
|
BDBM25817 |
---|
BDBM10852 |
---|
Name | BDBM25817 |
Synonyms: | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol | CHEMBL106 | Diflucan | Fluconazole | Fluconazole (f) | Fungata | Triflucan | US10221160, Fluconazole | US11247981, Example Fluconazole | US9138393, Fluconazole | US9144538, Fluconazole | US9221791, Fluconazole | US9556143, Fluconazole | cid_3365 |
Type | Small organic molecule |
Emp. Form. | C13H12F2N6O |
Mol. Mass. | 306.2708 |
SMILES | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
Structure |
|