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TargetCarbonic anhydrase 2
LigandBDBM13066
Substrate/CompetitorBDBM11326
Meas. Tech.Carbonic Anhydrase Enzyme Inhibition Assay
pH7.4±n/a
Temperature298.15±n/a K
IC50>100000±n/a nM
Citation Weber, ACasini, AHeine, AKuhn, DSupuran, CTScozzafava, AKlebe, G Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem47:550-7 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Carbonic anhydrase 2
Name:Carbonic anhydrase 2
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)
Type:Enzyme
Mol. Mass.:29250.71
Organism:Homo sapiens (Human)
Description:P00918
Residue:260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRIL
NNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHL
VHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDP
RGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
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  Blast E-value cutoff:
BDBM13066
BDBM11326
NameBDBM13066
Synonyms:2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid | CHEMBL139 | Diclofenac | US11337935, Compound Diclofenac | US11478464, Compound Diclofenac | US11786535, Compound Diclofenac | {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
TypeSmall organic molecule
Emp. Form.C14H11Cl2NO2
Mol. Mass.296.149
SMILESOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: