| 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 | BDBM50340478 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_741233 (CHEMBL1764602) |
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| IC50 | >50000±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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| BDBM50340478 |
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| n/a |
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| Name | BDBM50340478 |
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| Synonyms: | (1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-9a,11a-dimethyl-7-oxo-5-propyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide | CHEMBL1762035 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H42N2O2 |
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| Mol. Mass. | 414.6239 |
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| SMILES | CCCN1C[C@H]2[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:30| |
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| Structure | 
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