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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carbonic anhydrase 1 | ||
| Ligand | BDBM50211588 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1636647 (CHEMBL3879545) | ||
| Ki | 50±n/a nM | ||
| Citation |  Altug, C; Günes, H; Nocentini, A; Monti, SM; Buonanno, M; Supuran, CT Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties. Bioorg Med Chem25:1456-1464 (2017) [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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| BDBM50211588 | |||
| n/a | |||
| Name | BDBM50211588 | ||
| Synonyms: | CHEMBL3894919 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H12Cl2N4O4S | ||
| Mol. Mass. | 427.262 | ||
| SMILES | Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)| | ||
| Structure | 
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