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Target3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
LigandBDBM50340467
Substrate/Competitorn/a
Meas. Tech.ChEMBL_741233
IC50 27000±n/a nM
Citation Thomas, STYang, XSampson, NS Inhibition of the M. tuberculosis 3β-hydroxysteroid dehydrogenase by azasteroids. Bioorg Med Chem Lett21:2216-9 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
Name:3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:40743.62
Organism:Mycobacterium tuberculosis
Description:ChEMBL_741233
Residue:370
Sequence:
MLRRMGDASLTTELGRVLVTGGAGFVGANLVTTLLDRGHWVRSFDRAPSLLPAHPQLEVL
QGDITDADVCAAAVDGIDTIFHTAAIIELMGGASVTDEYRQRSFAVNVGGTENLLHAGQR
AGVQRFVYTSSNSVVMGGQNIAGGDETLPYTDRFNDLYTETKVVAERFVLAQNGVDGMLT
CAIRPSGIWGNGDQTMFRKLFESVLKGHVKVLVGRKSARLDNSYVHNLIHGFILAAAHLV
PDGTAPGQAYFINDAEPINMFEFARPVLEACGQRWPKMRISGPAVRWVMTGWQRLHFRFG
FPAPLLEPLAVERLYLDNYFSIAKARRDLGYEPLFTTQQALTECLPYYVSLFEQMKNEAR
AEKTAATVKP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50340467
NameBDBM50340467
Synonyms:(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-tert-butyl-5-(trifluoromethyl)phenyl)-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 | CHEMBL1762024
TypeSmall organic molecule
Emp. Form.C30H39F3N2O2
Mol. Mass.516.6381
SMILESCC(C)(C)c1ccc(cc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:20|
Structure
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n/a