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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50535248
Substrate
n/a
Meas. Tech.
ChEMBL_1930116 (CHEMBL4433367)
IC50
19000±n/a nM
Citation
 Alexandre, T; Lupan, A; Helynck, O; Vichier-Guerre, S; Dugué, L; Gelin, M; Haouz, A; Labesse, G; Munier-Lehmann, H First-in-class allosteric inhibitors of bacterial IMPDHs. Eur J Med Chem 167:124-132 (2019) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase
Synonyms:
1.1.1.205 | IMP dehydrogenase | IMPD | IMPDH | guaB
Type:
PROTEIN
Mol. Mass.:
51707.42
Organism:
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)
Description:
ChEMBL_119670
Residue:
489
Sequence:
MLRISQEALTFDDVLLIPGYSEVLPKDVSLKTRLTRGIELNIPLVSAAMDTVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKHETAIVRDPVTVTPSTKIIELLQMAREYGFSGFPVVEQGELVGIVTGRDLRVKPNAGDTVAAIMTPKDKLVTAREGTPLEEMKAKLYENRIEKMLVVDENFYLRGLVTFRDIEKAKTYPLASKDEQGRLRVGAAVGTGADTGERVAALVAAGVDVVVVDTAHGHSKGVIERVRWVKQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVGVPQISAIANVAAALEGTGVPLIADGGIRFSGDLAKAMVAGAYCVMMGSMFAGTEEAPGEIELFQGRSYKSYRGMGSLGAMSGSQGSSDRYFQDASAGAEKLVPEGIEGRVPYKGALSAIVHQLMGGLRAAMGYTGSADIQQMRTQPQFVRITGAGMAESHVHDVQITKEAPNYRVG
  
Inhibitor
Name:
BDBM50535248
Synonyms:
CHEMBL4561888
Type:
Small organic molecule
Emp. Form.:
C21H15ClN4O3
Mol. Mass.:
406.822
SMILES:
CC(=O)Nc1ccc(cc1)-c1cc(nc2[nH]nc(-c3ccc(Cl)cc3)c12)C(O)=O
Structure:
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