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Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50160377
Substrate
n/a
Meas. Tech.
ChEMBL_305708 (CHEMBL827223)
IC50
821±n/a nM
Citation
 Buckley, GM; Davies, N; Dyke, HJ; Gilbert, PJ; Hannah, DR; Haughan, AF; Hunt, CA; Pitt, WR; Profit, RH; Ray, NC; Richard, MD; Sharpe, A; Taylor, AJ; Whitworth, JM; Williams, SC Quinazolinethiones and quinazolinediones, novel inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett 15:751-4 (2005) [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:
BDBM50160377
Synonyms:
3-(2,2-Dimethyl-propyl)-7-methoxy-6-oxazol-5-yl-2-thioxo-2,3-dihydro-1H-quinazolin-4-one | CHEMBL178520
Type:
Small organic molecule
Emp. Form.:
C17H19N3O3S
Mol. Mass.:
345.416
SMILES:
COc1cc2[nH]c(=S)n(CC(C)(C)C)c(=O)c2cc1-c1cnco1
Structure:
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