Reaction Details |
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Target | Lanosterol 14-alpha demethylase |
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Ligand | BDBM25809 |
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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 | 37500±n/a nM |
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Comments | Kd from 25 to 50 uM. |
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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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BDBM25809 |
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BDBM10852 |
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Name | BDBM25809 |
Synonyms: | 3-hydroxyestra-1(10),2,4-triene-11,17-dione | 5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-14,17-dione | Compound 3529-0059 |
Type | Steroid |
Emp. Form. | C18H20O3 |
Mol. Mass. | 284.3496 |
SMILES | CC12CC(=O)C3C(CCc4cc(O)ccc34)C1CCC2=O |
Structure |
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