Reaction Details Report a problem with these data
Target
Isocitrate lyase
Ligand
BDBM50440009
Substrate
n/a
Meas. Tech.
ChEMBL_981601 (CHEMBL2429128)
IC50
214000±n/a nM
Citation
  TBA Med Chem Res 0:1-11 (2013)    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:
BDBM50440009
Synonyms:
CHEMBL2425401
Type:
Small organic molecule
Emp. Form.:
C34H58N10O11
Mol. Mass.:
782.8847
SMILES:
CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
Structure:
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