Reaction Details |
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Target | Inosine-5'-monophosphate dehydrogenase 1/2 |
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Ligand | BDBM19264 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_88591 (CHEMBL699983) |
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IC50 | 20000±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 |
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: | MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKIT
LKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVV
LSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMT
KREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDA
KKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVI
GGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVP
VIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAM
DKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVR
AMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF
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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: | MADYLISGGTGYVPEDGLTAQQLFASADGLTYNDFLILPGFIDFIADEVDLTSALTRKIT
LKTPLISSPMDTVTEADMAIAMALMGGIGFIHHNCTPEFQANEVRKVKKFEQGFITDPVV
LSPSHTVGDVLEAKMRHGFSGIPITETGTMGSKLVGIVTSRDIDFLAEKDHTTLLSEVMT
PRIELVVAPAGVTLKEANEILQRSKKGKLPIVNDCDELVAIIARTDLKKNRDYPLASKDS
QKQLLCGAAVGTREDDKYRLDLLTQAGVDVIVLDSSQGNSVYQIAMVHYIKQKYPHLQVI
GGNVVTAAQAKNLIDAGVDGLRVGMGCGSICITQEVMACGRPQGTAVYKVAEYARRFGVP
IIADGGIQTVGHVVKALALGASTVMMGSLLAATTEAPGEYFFSDGVRLKKYRGMGSLDAM
EKSSSSQKRYFSEGDKVKIAQGVSGSIQDKGSIQKFVPYLIAGIQHGCQDIGARSLSVLR
SMMYSGELKFEKRTMSAQIEGGVHGLHSYEKRLY
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BDBM19264 |
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n/a |
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Name | BDBM19264 |
Synonyms: | (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | CHEMBL866 | MPA (1) | Mycophenolic Acid (MPA) | Myfortic |
Type | Small organic molecule |
Emp. Form. | C17H20O6 |
Mol. Mass. | 320.3371 |
SMILES | COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O |
Structure |
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