Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50120529
Substrate
n/a
Meas. Tech.
ChEBML_89933
IC50
7.0±n/a nM
Citation
 Dhar, TG; Shen, Z; Fleener, CA; Rouleau, KA; Barrish, JC; Hollenbaugh, DL; Iwanowicz, EJ The TosMIC approach to 3-(oxazol-5-yl) indoles: application to the synthesis of indole-based IMPDH inhibitors. Bioorg Med Chem Lett 12:3305-8 (2002) [PubMed]  Article 
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:
BDBM50120529
Synonyms:
Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-carbamoyl)-methyl ester | CHEMBL109312
Type:
Small organic molecule
Emp. Form.:
C25H21N5O5
Mol. Mass.:
471.4647
SMILES:
CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Structure:
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