Reaction Details
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Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50185587
Substrate
n/a
Meas. Tech.
ChEMBL_371821 (CHEMBL865552)
IC50
254±n/a nM
Citation
Watkins, WJ; Chen, JM; Cho, A; Chong, L; Collins, N; Fardis, M; Huang, W; Hung, M; Kirschberg, T; Lee, WA; Liu, X; Thomas, W; Xu, J; Zeynalzadegan, A; Zhang, J Phosphonic acid-containing analogues of mycophenolic acid as inhibitors of IMPDH. Bioorg Med Chem Lett 16:3479-83 (2006) [PubMed] Article More Info.:
Target
Name:
Inosine-5'-monophosphate dehydrogenase 2
Synonyms:
IMDH2_HUMAN | IMP dehydrogenase 2 | IMPD 2 | IMPD2 | IMPDH-II | IMPDH2 | Inosine 5'-monophosphate dehydrogenase II (IMPDH II) | Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) | Inosine-5 -monophosphate dehydrogenase 2 | Inosine-5'-monophosphate dehydrogenase (IMPDH)
Type:
Enzyme
Mol. Mass.:
55806.87
Organism:
Homo sapiens (Human)
Description:
Recombinant IMPDH2 expressed in E. coli.
Residue:
514
Sequence:
MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVVLSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMTKREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVIGGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAMDKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF
Inhibitor
Name:
BDBM50185587
Synonyms:
7-hydroxy-5-methoxy-4-methyl-6-(3-methylbut-2-enyl)isobenzofuran-1(3H)-one | CHEMBL209723
Type:
Small organic molecule
Emp. Form.:
C15H18O4
Mol. Mass.:
262.301
SMILES:
[#6]-[#8]-c1c(-[#6])c2-[#6]-[#8]-[#6](=O)-c2c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]
Structure:
