Reaction Details
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3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
Ligand
BDBM50340476
Substrate
n/a
Meas. Tech.
ChEMBL_741233 (CHEMBL1764602)
IC50
>260000±n/a nM
Citation
Thomas, ST; Yang, X; Sampson, NS Inhibition of the M. tuberculosis 3β-hydroxysteroid dehydrogenase by azasteroids. Bioorg Med Chem Lett 21:2216-9 (2011) [PubMed] Article More Info.:
Target
Name:
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
Synonyms:
3BHS_MYCTU
Type:
PROTEIN
Mol. Mass.:
40743.62
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_741233
Residue:
370
Sequence:
MLRRMGDASLTTELGRVLVTGGAGFVGANLVTTLLDRGHWVRSFDRAPSLLPAHPQLEVLQGDITDADVCAAAVDGIDTIFHTAAIIELMGGASVTDEYRQRSFAVNVGGTENLLHAGQRAGVQRFVYTSSNSVVMGGQNIAGGDETLPYTDRFNDLYTETKVVAERFVLAQNGVDGMLTCAIRPSGIWGNGDQTMFRKLFESVLKGHVKVLVGRKSARLDNSYVHNLIHGFILAAAHLVPDGTAPGQAYFINDAEPINMFEFARPVLEACGQRWPKMRISGPAVRWVMTGWQRLHFRFGFPAPLLEPLAVERLYLDNYFSIAKARRDLGYEPLFTTQQALTECLPYYVSLFEQMKNEARAEKTAATVKP
Inhibitor
Name:
BDBM50340476
Synonyms:
(1S,3aS,3bS,9aR,9bS,11aS)-N,N,6-triethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide] | CHEMBL1762033
Type:
Small organic molecule
Emp. Form.:
C25H40N2O2
Mol. Mass.:
400.5973
SMILES:
CCC1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)N(CC)CC)[C@@H]3CN=C12 |r,t:29|
Structure:
