| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50004958 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_965226 (CHEMBL2394011) |
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| IC50 | 231±n/a nM |
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| Citation |  Wang, L; Yang, C; Lu, W; Liu, L; Gao, R; Liao, S; Zhao, Z; Zhu, L; Xu, Y; Li, H; Huang, J; Zhu, W Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. Bioorg Med Chem Lett23:3496-9 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carbonic anhydrase 1 |
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| Name: | Carbonic anhydrase 1 |
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| Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
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| Type: | Enzyme |
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| Mol. Mass.: | 28873.37 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00915 |
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| Residue: | 261 |
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| Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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| BDBM50004958 |
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| n/a |
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| Name | BDBM50004958 |
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| Synonyms: | CHEMBL2392430 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H13N3O5S2 |
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| Mol. Mass. | 403.432 |
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| SMILES | NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)c1 |
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| Structure | 
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