| Reaction Details |
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 | Report a problem with these data |
| Target | Inosine-5'-monophosphate dehydrogenase 1/2 |
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| Ligand | BDBM19254 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_89793 (CHEMBL698511) |
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| Ki | 250±n/a nM |
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| Citation |  Pickett, SD; Sherborne, BS; Wilkinson, T; Bennett, J; Borkakoti, N; Broadhurst, M; Hurst, D; Kilford, I; McKinnell, M; Jones, PS Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening. Bioorg Med Chem Lett13:1691-4 (2003) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Inosine-5'-monophosphate dehydrogenase 1/2 |
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| Name: | Inosine-5'-monophosphate dehydrogenase 1/2 |
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| Synonyms: | Inosine-5''''-monophosphate dehydrogenase (IMPDH) | Inosine-5''-monophosphate dehydrogenase (IMPDH) | Inosine-5'-monophosphate dehydrogenase (IMPDH) |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 88591 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Inosine-5'-monophosphate dehydrogenase 2 |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 55806.87 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant IMPDH2 expressed in E. coli. |
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| Residue: | 514 |
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| Sequence: | MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKIT
LKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVV
LSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMT
KREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDA
KKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVI
GGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVP
VIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAM
DKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVR
AMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF
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| Component 2 |
| Name: | Inosine-5'-monophosphate dehydrogenase 1 |
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| Synonyms: | IMDH1_HUMAN | IMP dehydrogenase 1 | IMPD 1 | IMPD1 | IMPDH-I | IMPDH1 | Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) | Inosine-5'-monophosphate dehydrogenase (IMPDH) |
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| Type: | Enzyme |
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| Mol. Mass.: | 55407.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant IMPDH1 expressed in E. coli. |
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| Residue: | 514 |
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| Sequence: | MADYLISGGTGYVPEDGLTAQQLFASADGLTYNDFLILPGFIDFIADEVDLTSALTRKIT
LKTPLISSPMDTVTEADMAIAMALMGGIGFIHHNCTPEFQANEVRKVKKFEQGFITDPVV
LSPSHTVGDVLEAKMRHGFSGIPITETGTMGSKLVGIVTSRDIDFLAEKDHTTLLSEVMT
PRIELVVAPAGVTLKEANEILQRSKKGKLPIVNDCDELVAIIARTDLKKNRDYPLASKDS
QKQLLCGAAVGTREDDKYRLDLLTQAGVDVIVLDSSQGNSVYQIAMVHYIKQKYPHLQVI
GGNVVTAAQAKNLIDAGVDGLRVGMGCGSICITQEVMACGRPQGTAVYKVAEYARRFGVP
IIADGGIQTVGHVVKALALGASTVMMGSLLAATTEAPGEYFFSDGVRLKKYRGMGSLDAM
EKSSSSQKRYFSEGDKVKIAQGVSGSIQDKGSIQKFVPYLIAGIQHGCQDIGARSLSVLR
SMMYSGELKFEKRTMSAQIEGGVHGLHSYEKRLY
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| BDBM19254 |
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| n/a |
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| Name | BDBM19254 |
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| 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 |
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| Type | Nucleoside or nucleotide |
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| Emp. Form. | C10H13N4O8P |
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| Mol. Mass. | 348.206 |
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| SMILES | O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r| |
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| Structure | 
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