| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 2 |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | BDBM10856 |
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| Meas. Tech. | CA Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| Ki | 21±n/a nM |
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| Citation |  Menchise, V; De Simone, G; Alterio, V; Di Fiore, A; Pedone, C; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II. J Med Chem48:5721-7 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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| BDBM11639 |
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| BDBM10856 |
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| Name | BDBM11639 |
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| Synonyms: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14F3N3O2S |
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| Mol. Mass. | 381.372 |
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| SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
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| Structure | 
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