Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50535239
Substrate
n/a
Meas. Tech.
ChEMBL_1930116 (CHEMBL4433367)
IC50
7400±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:
BDBM50535239
Synonyms:
CHEMBL4588651
Type:
Small organic molecule
Emp. Form.:
C19H10BrClFN3O2
Mol. Mass.:
446.657
SMILES:
OC(=O)c1cc(-c2cc(Br)ccc2F)c2c(n[nH]c2n1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: