| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50426821 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_938161 (CHEMBL2328243) |
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| Ki | 240±n/a nM |
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| Citation |  Bozdag, M; Dreker, T; Henry, C; Tosco, P; Vallaro, M; Fruttero, R; Scozzafava, A; Carta, F; Supuran, CT Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors. Bioorg Med Chem Lett23:715-9 (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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| BDBM50426821 |
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| n/a |
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| Name | BDBM50426821 |
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| Synonyms: | 4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochloride | CHEMBL2323125 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H14N4O2S |
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| Mol. Mass. | 242.298 |
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| SMILES | [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O |
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| Structure | 
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