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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM19264
Substrate
n/a
Meas. Tech.
ChEMBL_1797185 (CHEMBL4269302)
IC50
120±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:
BDBM19264
Synonyms:
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | CHEMBL866 | MPA (1) | Mycophenolic Acid (MPA) | Myfortic
Type:
Small organic molecule
Emp. Form.:
C17H20O6
Mol. Mass.:
320.3371
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Structure:
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