| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 2 |
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| Ligand | BDBM222046 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Esterase Activity Assay |
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| pH | 7.4±n/a |
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| Temperature | 298.15±n/a K |
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| Ki | 0.2773±0.0301 nM |
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| IC50 | 0.3561±0.0 nM |
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| Comments | extracted |
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| Citation |  Kocyigit, UM; Budak, Y; Gürdere, MB; Tekin, Å¿; Köprülü, TK; Ertürk, F; Özcan, K; Gülçin, Ä°; Ceylan, M Synthesis, characterization, anticancer, antimicrobial and carbonic anhydrase inhibition profiles of novel (3aR,4S,7R,7aS)-2-(4-((E)-3-(3-aryl)acryloyl) phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione derivatives. Bioorg Chem70:118-125 (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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| BDBM222046 |
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| n/a |
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| Name | BDBM222046 |
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| Synonyms: | (3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryloyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7a) |
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| Type | Small organic molecule |
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| Emp. Form. | C25H21NO4 |
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| Mol. Mass. | 399.4385 |
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| SMILES | COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:24| |
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| Structure | 
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