Reaction Details Report a problem with these data
Target
Isocitrate lyase
Ligand
BDBM233191
Substrate
n/a
Meas. Tech.
ICL Enzyme Assay
Temperature
310.15±0 K
IC50
<1.165e+5±n/a nM
Citation
 Sriram, D; Yogeeswari, P; Senthilkumar, P; Naidu, G; Bhat, P 5-Nitro-2,6-dioxohexahydro-4-pyrimidinecarboxamides: synthesis, in vitro antimycobacterial activity, cytotoxicity, and isocitrate lyase inhibition studies. J Enzyme Inhib Med Chem 25:765-72 (2010) [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:
BDBM233191
Synonyms:
7-(3,5-Dimethyl)-4-[(5-nitro-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]piperazino-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (3m)
Type:
Small organic molecule
Emp. Form.:
C23H24F2N6O8
Mol. Mass.:
550.4689
SMILES:
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(C)N(C(C)C3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)c12
Structure:
Search PDB for entries with ligand similarity: