Reaction Details | |||
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Target | Carbonic anhydrase 1 | ||
Ligand | BDBM50351136 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_764116 (CHEMBL1821327) | ||
Ki | 2910±n/a nM | ||
Citation | Brzozowski, Z; Slawinski, J; Gdaniec, M; Innocenti, A; Supuran, CT Carbonic anhydrase inhibitors. Synthesis, molecular structures, and inhibition of the human cytosolic isozymes I and II and transmembrane isozymes IX, XII (cancer-associated) and XIV with novel 3-pyridinesulfonamide derivatives. Eur J Med Chem46:4403-10 (2011) [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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BDBM50351136 | |||
n/a | |||
Name | BDBM50351136 | ||
Synonyms: | CHEMBL1817904 | ||
Type | Small organic molecule | ||
Emp. Form. | C12H15N4O2S | ||
Mol. Mass. | 279.338 | ||
SMILES | C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)| | ||
Structure |