Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1/2
Ligand
BDBM50326433
Substrate
n/a
Meas. Tech.
ChEMBL_89671 (CHEMBL697164)
Ki
38000±n/a nM
Citation
 Wong, CG; Meyer, RB Inhibitors of inosinic acid dehydrogenase. 2-Substituted inosinic acids. J Med Chem 27:429-32 (1984) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase 1/2
Synonyms:
Inosine-5''''-monophosphate dehydrogenase (IMPDH) | Inosine-5''-monophosphate dehydrogenase (IMPDH) | Inosine-5'-monophosphate dehydrogenase (IMPDH)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 88591
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Inosine-5'-monophosphate dehydrogenase 1
Synonyms:
IMDH1_HUMAN | IMP dehydrogenase 1 | IMPD 1 | IMPD1 | IMPDH-I | IMPDH1 | Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) | Inosine-5'-monophosphate dehydrogenase (IMPDH)
Type:
Enzyme
Mol. Mass.:
55407.70
Organism:
Homo sapiens (Human)
Description:
Recombinant IMPDH1 expressed in E. coli.
Residue:
514
Sequence:
MADYLISGGTGYVPEDGLTAQQLFASADGLTYNDFLILPGFIDFIADEVDLTSALTRKITLKTPLISSPMDTVTEADMAIAMALMGGIGFIHHNCTPEFQANEVRKVKKFEQGFITDPVVLSPSHTVGDVLEAKMRHGFSGIPITETGTMGSKLVGIVTSRDIDFLAEKDHTTLLSEVMTPRIELVVAPAGVTLKEANEILQRSKKGKLPIVNDCDELVAIIARTDLKKNRDYPLASKDSQKQLLCGAAVGTREDDKYRLDLLTQAGVDVIVLDSSQGNSVYQIAMVHYIKQKYPHLQVIGGNVVTAAQAKNLIDAGVDGLRVGMGCGSICITQEVMACGRPQGTAVYKVAEYARRFGVPIIADGGIQTVGHVVKALALGASTVMMGSLLAATTEAPGEYFFSDGVRLKKYRGMGSLDAMEKSSSSQKRYFSEGDKVKIAQGVSGSIQDKGSIQKFVPYLIAGIQHGCQDIGARSLSVLRSMMYSGELKFEKRTMSAQIEGGVHGLHSYEKRLY
  
Inhibitor
Name:
BDBM50326433
Synonyms:
((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate | CHEMBL1242996
Type:
Small organic molecule
Emp. Form.:
C10H14N5O8P
Mol. Mass.:
363.2206
SMILES:
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: