Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50154330 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_302403 (CHEMBL875202) |
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Ki | 47±n/a nM |
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Citation | Innocenti, A; Casini, A; Alcaro, MC; Papini, AM; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library. J Med Chem47:5224-9 (2004) [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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BDBM50154330 |
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n/a |
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Name | BDBM50154330 |
Synonyms: | (S)-3-(1H-Indol-3-yl)-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionic acid | CHEMBL188191 |
Type | Small organic molecule |
Emp. Form. | C18H18N4O4S2 |
Mol. Mass. | 418.49 |
SMILES | NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)cc1 |
Structure |
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