Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50116139
Substrate
n/a
Meas. Tech.
ChEBML_89931
IC50
78±n/a nM
Citation
Pitts, WJ; Guo, J; Dhar, TG; Shen, Z; Gu, HH; Watterson, SH; Bednarz, MS; Chen, BC; Barrish, JC; Bassolino, D; Cheney, D; Fleener, CA; Rouleau, KA; Hollenbaugh, DL; Iwanowicz, EJ Rapid synthesis of triazine inhibitors of inosine monophosphate dehydrogenase. Bioorg Med Chem Lett 12:2137-40 (2002) [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:
BDBM50116139
Synonyms:
CHEMBL303608 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-phenyl-[1,3,5]triazin-2-yl]-pyrrolidin-2-yl}-methanol
Type:
Small organic molecule
Emp. Form.:
C24H24N6O3
Mol. Mass.:
444.4858
SMILES:
COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCC[C@@H]2CO)ccc1-c1cnco1