Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50258716 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_519734 (CHEMBL938997) |
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Ki | 0.97±n/a nM |
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Citation | Güzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem52:4063-7 (2009) [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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BDBM50258716 |
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n/a |
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Name | BDBM50258716 |
Synonyms: | 1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | 2,4,6-trimethyl-1-(5-sulfamoyl-3-p-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate | CHEMBL468946 |
Type | Small organic molecule |
Emp. Form. | C24H25N4O3S |
Mol. Mass. | 449.545 |
SMILES | Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C |
Structure |
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