Target
Isocitrate lyase
Ligand
BDBM50351198
Substrate
n/a
Meas. Tech.
ChEMBL_763888 (CHEMBL1820652)
IC50
21320±n/a nM
Citation
 Sriram, DYogeeswari, PMethuku, SVyas, DRSenthilkumar, PAlvala, MJeankumar, VU Synthesis of various 3-nitropropionamides as Mycobacterium tuberculosis isocitrate lyase inhibitor. Bioorg Med Chem Lett 21:5149-54 (2011) [PubMed]  Article 
Target
Name:
Isocitrate lyase
Synonyms:
ACEA_MYCTU | Isocitrase | Isocitratase | Isocitrate lyase | Isocitrate lyase (ICL) | icl
Type:
Enzyme
Mol. Mass.:
47072.93
Organism:
Mycobacterium tuberculosis
Description:
P9WKK7
Residue:
428
Sequence:
MSVVGTPKSAEQIQQEWDTNPRWKDVTRTYSAEDVVALQGSVVEEHTLARRGAEVLWEQLHDLEWVNALGALTGNMAVQQVRAGLKAIYLSGWQVAGDANLSGHTYPDQSLYPANSVPQVVRRINNALQRADQIAKIEGDTSVENWLAPIVADGEAGFGGALNVYELQKALIAAGVAGSHWEDQLASEKKCGHLGGKVLIPTQQHIRTLTSARLAADVADVPTVVIARTDAEAATLITSDVDERDQPFITGERTREGFYRTKNGIEPCIARAKAYAPFADLIWMETGTPDLEAARQFSEAVKAEYPDQMLAYNCSPSFNWKKHLDDATIAKFQKELAAMGFKFQFITLAGFHALNYSMFDLAYGYAQNQMSAYVELQEREFAAEERGYTATKHQREVGAGYFDRIATTVDPNSSTTALTGSTEEGQFH
  
Inhibitor
Name:
BDBM50351198
Synonyms:
CHEMBL1818286
Type:
Small organic molecule
Emp. Form.:
C9H9ClN2O3
Mol. Mass.:
228.632
SMILES:
[O-][N+](=O)CCC(=O)Nc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: