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TargetCarbonic anhydrase 1
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1465099
Ki 50000±n/a nM
Citation Carta FDi Cesare Mannelli LPinard MGhelardini CScozzafava AMcKenna RSupuran CT A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg Med Chem 23:1828-40 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
Name:Carbonic anhydrase
Synonyms:CA-I | CAB | Carbonate dehydratase I | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:Enzyme
Mol. Mass.:28873.37
Organism:Homo sapiens (Human)
Description:P00915
Residue:261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11639
n/a
NameBDBM11639
Synonyms:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
TypeSmall organic molecule
Emp. Form.C17H14F3N3O2S
Mol. Mass.381.372
SMILESCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure
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