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Target
Isocitrate lyase
Ligand
BDBM50461791
Substrate
n/a
Meas. Tech.
ChEMBL_1905979 (CHEMBL4408337)
IC50
30900±n/a nM
Citation
 Krátký, M; Jan?ourek, O; Baranyai, Z; Novotná, E; Stola?íková, J; B?sze, S; Vin?ová, J Phenolic N-monosubstituted carbamates: Antitubercular and toxicity evaluation of multi-targeting compounds. Eur J Med Chem 181:0 (2019) [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:
BDBM50461791
Synonyms:
CHEMBL4226192
Type:
Small organic molecule
Emp. Form.:
C12H12O4
Mol. Mass.:
220.2213
SMILES:
COC(=O)\C=C\C(=O)c1ccc(OC)cc1
Structure:
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