Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50087042 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1477826 (CHEMBL3428830) |
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Ki | >10000±n/a nM |
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Citation | Grandane, A; Tanc, M; Di Cesare Mannelli, L; Carta, F; Ghelardini, C; ?alubovskis, R; Supuran, CT 6-Substituted sulfocoumarins are selective carbonic anhdydrase IX and XII inhibitors with significant cytotoxicity against colorectal cancer cells. J Med Chem58:3975-83 (2015) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM50087042 |
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n/a |
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Name | BDBM50087042 |
Synonyms: | CHEMBL3426542 |
Type | Small organic molecule |
Emp. Form. | C9H5NO3S |
Mol. Mass. | 207.206 |
SMILES | O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11| |
Structure |
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