Reaction Details |
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Target | Carbonic anhydrase 14 |
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Ligand | BDBM11639 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_878778 (CHEMBL2183718) |
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Ki | 689±n/a nM |
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Citation | Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. J Med Chem55:9619-29 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 14 |
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Name: | Carbonic anhydrase 14 |
Synonyms: | CA-XIV | CA14 | CAH14_HUMAN | Carbonate dehydratase XIV | Carbonic Anhydrase XIV | Carbonic anhydrase | Carbonic anhydrase 14 | Carbonic anhydrase 14 (CA XIV) | Carbonic anhydrase XIV (CA XIV) |
Type: | Enzyme |
Mol. Mass.: | 37665.67 |
Organism: | Homo sapiens (Human) |
Description: | Human (cloned) isozyme. |
Residue: | 337 |
Sequence: | MLFSALLLEVIWILAADGGQHWTYEGPHGQDHWPASYPECGNNAQSPIDIQTDSVTFDPD
LPALQPHGYDQPGTEPLDLHNNGHTVQLSLPSTLYLGGLPRKYVAAQLHLHWGQKGSPGG
SEHQINSEATFAELHIVHYDSDSYDSLSEAAERPQGLAVLGILIEVGETKNIAYEHILSH
LHEVRHKDQKTSVPPFNLRELLPKQLGQYFRYNGSLTTPPCYQSVLWTVFYRRSQISMEQ
LEKLQGTLFSTEEEPSKLLVQNYRALQPLNQRMVFASFIQAGSSYTTGEMLSLGVGILVG
CLCLLLAVYFIARKIRKKRLENRKSVVFTSAQATTEA
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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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