| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 2 |
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| Ligand | BDBM50248706 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1679286 (CHEMBL4029563) |
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| IC50 | 65±n/a nM |
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| Citation |  Hou, Z; Lin, B; Bao, Y; Yan, HN; Zhang, M; Chang, XW; Zhang, XX; Wang, ZJ; Wei, GF; Cheng, MS; Liu, Y; Guo, C Dual-tail approach to discovery of novel carbonic anhydrase IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site. Eur J Med Chem132:1-10 (2017) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carbonic anhydrase 2 |
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| Name: | Carbonic anhydrase 2 |
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| Synonyms: | CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II) |
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| Type: | Enzyme |
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| Mol. Mass.: | 29250.71 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00918 |
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| Residue: | 260 |
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| Sequence: | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRIL
NNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHL
VHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDP
RGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
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| BDBM50248706 |
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| n/a |
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| Name | BDBM50248706 |
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| Synonyms: | CHEMBL4063719 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H28N4O8S2 |
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| Mol. Mass. | 552.62 |
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| SMILES | COc1ccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1 |r| |
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| Structure | 
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