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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carbonic anhydrase 1 | ||
| Ligand | BDBM50170755 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_302179 (CHEMBL830213) | ||
| Ki | 1500±n/a nM | ||
| Citation |  Cecchi, A; Hulikova, A; Pastorek, J; Pastoreková, S; Scozzafava, A; Winum, JY; Montero, JL; Supuran, CT Carbonic anhydrase inhibitors. Design of fluorescent sulfonamides as probes of tumor-associated carbonic anhydrase IX that inhibit isozyme IX-mediated acidification of hypoxic tumors. J Med Chem48:4834-41 (2005) [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: |
| ||
| BDBM50170755 | |||
| n/a | |||
| Name | BDBM50170755 | ||
| Synonyms: | 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[3-(4-sulfamoyl-phenyl)-thioureido]-benzoic acid | CHEMBL191109 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H19N3O7S2 | ||
| Mol. Mass. | 561.586 | ||
| SMILES | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(16.88,.93,;15.54,.16,;14.75,1.49,;16.32,-1.2,;14.19,-.64,;12.86,.13,;11.53,-.64,;11.53,-2.18,;10.2,-2.95,;8.87,-2.18,;8.87,-.64,;7.52,-2.94,;7.51,-4.48,;6.17,-5.25,;6.17,-6.8,;7.51,-7.57,;8.84,-6.8,;8.84,-5.25,;10.18,-7.58,;11.27,-8.66,;11.51,-6.81,;7.51,-9.11,;6.18,-9.88,;4.85,-9.11,;3.51,-9.88,;3.51,-11.42,;2.17,-12.21,;4.85,-12.19,;6.18,-11.43,;7.51,-12.19,;8.85,-11.42,;10.18,-12.19,;11.51,-11.42,;12.86,-12.21,;11.51,-9.88,;10.18,-9.12,;8.85,-9.88,;12.86,-2.95,;14.19,-2.18,)| | ||
| Structure | 
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