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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50467866
Substrate
n/a
Meas. Tech.
ChEMBL_1797185 (CHEMBL4269302)
IC50
160±n/a nM
Citation
 Kummari, LK; Butler, MS; Furlong, E; Blundell, R; Nouwens, A; Silva, AB; Kappler, U; Fraser, JA; Kobe, B; Cooper, MA; Robertson, AAB Antifungal benzo[b]thiophene 1,1-dioxide IMPDH inhibitors exhibit pan-assay interference (PAINS) profiles. Bioorg Med Chem 26:5408-5419 (2018) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase
Synonyms:
1.1.1.205 | IMDH_CRYNJ | IMP dehydrogenase | IMPD | IMPDH
Type:
PROTEIN
Mol. Mass.:
57901.81
Organism:
Cryptococcus neoformans var. neoformans serotype D (strain JEC21 /ATCC MYA-565) (Filobasidiella neoformans)
Description:
ChEMBL_117850
Residue:
544
Sequence:
MADTNPNAPPRSDSLLNPADALKYLEEYPRGDGLSLQELMDSRKNGGLTYNDFLVLPGHISFPASDVSLQSRATKNIVLNTPFLSSPMDTVTEDRMAIALALHGGLGIIHHNCSAEEQAAMVRRVKKYENGFITDPLCLGPDATVGDVLEIKAKFGFCGVPITETGAPNSKLLGIVTGRDVQFQDAETPIKSVMTTEVVTGSSPITLEKANSLLRETKKGKLPIVDSNGHLVSLVARSDLLKNQNYPYASKVPESKQLYCGAAIGTRPGDKDRLKLLAEAGLDVVVLDSSQGDSVYQIEFIKWIKQTYPKIEIIAGNVVTREQAAQLIAAGADGLRIGMGSGSICITQEVMAVGRPQGTAVYAVAEFASRFGIPCIADGGIGNIGHIAKALALGASAVMMGGLLAGTTESPGEYFYHEGKRVKVYRGMGSIEAMEHTQRGSASGKRSILNLDNAATARYFSEADAVKVAQGVSGDVADKGSINKFVPYLFTGLQHSFQDAGVKSVSELHSCARSGSLRFELRTASAQLEGGVHGLNSYTKRLFA
  
Inhibitor
Name:
BDBM50467866
Synonyms:
CHEMBL4289187
Type:
Small organic molecule
Emp. Form.:
C18H13N3O4S2
Mol. Mass.:
399.444
SMILES:
CC(=O)Nc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:16|
Structure:
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