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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50458539
Substrate
n/a
Meas. Tech.
ChEMBL_1930116 (CHEMBL4433367)
IC50
1600±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:
BDBM50458539
Synonyms:
CHICAGO SKY BLUE SODIUM | Chicago Sky Blue | Chicago Sky Blue 6B
Type:
Small organic molecule
Emp. Form.:
C34H24N6Na4O16S4
Mol. Mass.:
992.804
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1\[#7]=[#7]\c1ccc2c(cc(c(-[#7])c2c1-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)-c1ccc(\[#7]=[#7]\c2ccc3c(cc(c(-[#7])c3c2-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)c(-[#8]-[#6])c1
Structure:
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