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Target
O-acetylserine sulfhydrylase
Ligand
BDBM50427257
Substrate
n/a
Meas. Tech.
ChEMBL_938536 (CHEMBL2327220)
IC50
7400±n/a nM
Citation
 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening. Bioorg Med Chem Lett 23:1182-6 (2013) [PubMed]  Article 
Target
Name:
O-acetylserine sulfhydrylase
Synonyms:
CSase A | CYSK_MYCTU | Cysteine synthase A | MT2397 | O-acetylserine (thiol)-lyase A | O-acetylserine-specific cysteine synthase | OAS sulfhydrylase | OAS-TL A | OASS | Sulfide-dependent cysteine synthase | cysK | cysK1
Type:
PROTEIN
Mol. Mass.:
32747.29
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_978239
Residue:
310
Sequence:
MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD
  
Inhibitor
Name:
BDBM50427257
Synonyms:
CHEMBL2325118
Type:
Small organic molecule
Emp. Form.:
C22H32N4O8
Mol. Mass.:
480.5115
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O |r|
Structure:
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