| Reaction Details |
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 | Report a problem with these data |
| Target | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase |
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| Ligand | BDBM50340482 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_741233 (CHEMBL1764602) |
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| IC50 | >200000±n/a nM |
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| Citation |  Thomas, ST; Yang, X; Sampson, NS Inhibition of the M. tuberculosis 3β-hydroxysteroid dehydrogenase by azasteroids. Bioorg Med Chem Lett21:2216-9 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase |
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| Name: | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase |
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| Synonyms: | 3BHS_MYCTU |
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| Type: | PROTEIN |
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| Mol. Mass.: | 40743.62 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_741233 |
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| Residue: | 370 |
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| Sequence: | MLRRMGDASLTTELGRVLVTGGAGFVGANLVTTLLDRGHWVRSFDRAPSLLPAHPQLEVL
QGDITDADVCAAAVDGIDTIFHTAAIIELMGGASVTDEYRQRSFAVNVGGTENLLHAGQR
AGVQRFVYTSSNSVVMGGQNIAGGDETLPYTDRFNDLYTETKVVAERFVLAQNGVDGMLT
CAIRPSGIWGNGDQTMFRKLFESVLKGHVKVLVGRKSARLDNSYVHNLIHGFILAAAHLV
PDGTAPGQAYFINDAEPINMFEFARPVLEACGQRWPKMRISGPAVRWVMTGWQRLHFRFG
FPAPLLEPLAVERLYLDNYFSIAKARRDLGYEPLFTTQQALTECLPYYVSLFEQMKNEAR
AEKTAATVKP
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| BDBM50340482 |
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| n/a |
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| Name | BDBM50340482 |
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| Synonyms: | (1S,3aS,3bS,8bS,8cS,10aS)-N-tert-butyl-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,7,7a,8,8a,8b,8c,9,10,10a-hexadecahydrocyclopenta[i]cyclopropa[a]phenanthridine-1-carboxamide | CHEMBL1762038 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H36N2O2 |
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| Mol. Mass. | 384.5548 |
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| SMILES | CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@]12C |r,t:13| |
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| Structure | 
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