Reaction Details | |||
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Target | Carbonic anhydrase 1 | ||
Ligand | BDBM50092599 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1500871 (CHEMBL3588511) | ||
Ki | >10000±n/a nM | ||
Citation | Carradori, S; Mollica, A; Ceruso, M; D'Ascenzio, M; De Monte, C; Chimenti, P; Sabia, R; Akdemir, A; Supuran, CT New amide derivatives of Probenecid as selective inhibitors of carbonic anhydrase IX and XII: biological evaluation and molecular modelling studies. Bioorg Med Chem23:2975-81 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Carbonic anhydrase 1 | |||
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: |
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BDBM50092599 | |||
n/a | |||
Name | BDBM50092599 | ||
Synonyms: | CHEMBL3586213 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H32N2O3S | ||
Mol. Mass. | 380.545 | ||
SMILES | CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| | ||
Structure |