Reaction Details Report a problem with these data
Target
Isocitrate lyase
Ligand
BDBM50351200
Substrate
n/a
Meas. Tech.
ChEMBL_763888 (CHEMBL1820652)
IC50
12600±n/a nM
Citation
 Sriram, D; Yogeeswari, P; Methuku, S; Vyas, DR; Senthilkumar, P; Alvala, M; Jeankumar, 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:
BDBM50351200
Synonyms:
CHEMBL1818376
Type:
Small organic molecule
Emp. Form.:
C9H17N3O3
Mol. Mass.:
215.2496
SMILES:
CCN1CCN(CC1)C(=O)CC[N+]([O-])=O
Structure:
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