Reaction Details |
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Target | Carbonic anhydrase 4 |
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Ligand | BDBM11639 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_329209 (CHEMBL865822) |
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Ki | 290±n/a nM |
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Citation | Di Fiore, A; Pedone, C; D'Ambrosio, K; Scozzafava, A; De Simone, G; Supuran, CT Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II"selective" inhibitor celecoxib. Bioorg Med Chem Lett16:437-42 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 4 |
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Name: | Carbonic anhydrase 4 |
Synonyms: | CA-IV | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4 |
Type: | Enzyme |
Mol. Mass.: | 35152.74 |
Organism: | Bos taurus (bovine) |
Description: | Bovine isozyme, isolated from lung microsomes |
Residue: | 312 |
Sequence: | MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAK
TQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSR
AMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQ
PLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQK
PIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLA
PVLACLTVGFLR
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BDBM11639 |
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n/a |
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Name | BDBM11639 |
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 |
Type | Small organic molecule |
Emp. Form. | C17H14F3N3O2S |
Mol. Mass. | 381.372 |
SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
Structure |
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