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Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM19290
Substrate
BDBM19254
Meas. Tech.
IMPDH2 Enzyme Inhibition and Human T-Lymphoblast (CEM) Proliferation Inhibition Assays
pH
8±n/a
Temperature
298.15±n/a K
IC50
20±4.8 nM
EC50
660±140 nM
Citation
 Watterson, SH; Chen, P; Zhao, Y; Gu, HH; Dhar, TG; Xiao, Z; Ballentine, SK; Shen, Z; Fleener, CA; Rouleau, KA; Obermeier, M; Yang, Z; McIntyre, KW; Shuster, DJ; Witmer, M; Dambach, D; Chao, S; Mathur, A; Chen, BC; Barrish, JC; Robl, JA; Townsend, R; Iwanowicz, EJ Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419). J Med Chem 50:3730-42 (2007) [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:
BDBM19290
Synonyms:
2-fluoro-N-{2-[6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide | Acridone-Based Inhibitor, 4n
Type:
Small organic molecule
Emp. Form.:
C26H25FN4O3
Mol. Mass.:
460.5001
SMILES:
CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(nc1)N1CCOCC1
Structure:
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Substrate
Name:
BDBM19254
Synonyms:
IMP | Inosine | Inosinic acid | US11185100, TABLE 11.2 | [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen | inosine monophosphate | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H13N4O8P
Mol. Mass.:
348.206
SMILES:
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
Structure:
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