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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carbonic anhydrase 2 | ||
| Ligand | BDBM50271035 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_553540 (CHEMBL958723) | ||
| Kd | 0.200000±n/a nM | ||
| Citation |  Congreve, M; Chessari, G; Tisi, D; Woodhead, AJ Recent developments in fragment-based drug discovery. J Med Chem51:3661-80 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Carbonic anhydrase 2 | |||
| Name: | Carbonic anhydrase 2 | ||
| Synonyms: | CA2 | CAH2_BOVIN | Carbonic anhydrase | Carbonic anhydrase 2 | Carbonic anhydrase II | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 29115.93 | ||
| Organism: | Bos taurus | ||
| Description: | n/a | ||
| Residue: | 260 | ||
| Sequence: |
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| BDBM50271035 | |||
| n/a | |||
| Name | BDBM50271035 | ||
| Synonyms: | (S)-4-(1-(1-(3-aza-bicyclo[3.2.2]nonan-3-yl)-3-methyl-1-oxobutan-2-yl)-1H-1,2,3-triazol-4-yl)benzenesulfonamide | CHEMBL487938 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H29N5O3S | ||
| Mol. Mass. | 431.552 | ||
| SMILES | CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r,wU:3.16,THB:4:6:9.10:13.12,(12.04,-2.81,;11.56,-4.27,;10.05,-4.58,;12.58,-5.42,;14.09,-5.1,;15.11,-6.25,;14.57,-3.64,;15.59,-2.35,;15.19,-.74,;16.35,.25,;14.96,.02,;13.56,-1.17,;12.3,-.79,;13.73,-.09,;14.53,-2.3,;12.1,-6.88,;10.63,-7.35,;10.63,-8.89,;12.09,-9.37,;13,-8.13,;9.3,-9.67,;9.3,-11.22,;7.96,-11.99,;6.63,-11.22,;6.63,-9.67,;7.96,-8.9,;5.29,-11.99,;3.95,-12.75,;6.06,-13.33,;4.54,-10.65,)| | ||
| Structure | 
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