Ki Summary

Reaction Details

Report a problem with these data

Target

3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase

Ligand

BDBM50340471

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_741233 (CHEMBL1764602)

IC50

500±n/a nM

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

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:

3BHS_MYCTU

Type:

PROTEIN

Mol. Mass.:

40743.62

Organism:

Mycobacterium tuberculosis

Description:

ChEMBL_741233

Residue:

370

Sequence:

MLRRMGDASLTTELGRVLVTGGAGFVGANLVTTLLDRGHWVRSFDRAPSLLPAHPQLEVL
QGDITDADVCAAAVDGIDTIFHTAAIIELMGGASVTDEYRQRSFAVNVGGTENLLHAGQR
AGVQRFVYTSSNSVVMGGQNIAGGDETLPYTDRFNDLYTETKVVAERFVLAQNGVDGMLT
CAIRPSGIWGNGDQTMFRKLFESVLKGHVKVLVGRKSARLDNSYVHNLIHGFILAAAHLV
PDGTAPGQAYFINDAEPINMFEFARPVLEACGQRWPKMRISGPAVRWVMTGWQRLHFRFG
FPAPLLEPLAVERLYLDNYFSIAKARRDLGYEPLFTTQQALTECLPYYVSLFEQMKNEAR
AEKTAATVKP

BDBM50340471

n/a

Name

BDBM50340471

Synonyms:

(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-((S)-6-methylheptan-2-yl)-3,3a,3b,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridin-7(2H)-one | CHEMBL1762028

Type

Small organic molecule

Emp. Form.

C26H43NO

Mol. Mass.

385.6257

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:14|

Structure