Reaction Details |
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Target | Lanosterol 14-alpha demethylase |
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Ligand | BDBM25807 |
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Substrate/Competitor | BDBM10852 |
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Meas. Tech. | Ligand Binding Assay |
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pH | 7.5±n/a |
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Temperature | 310.15±n/a K |
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Kd | 28000±n/a nM |
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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 |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Lanosterol 14-alpha demethylase |
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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
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BDBM25807 |
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BDBM10852 |
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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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