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TargetCarbonic anhydrase
LigandBDBM50230205
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1644700
Ki>100±n/a nM
Citation Bua, SDi Cesare Mannelli, LVullo, DGhelardini, CBartolucci, GScozzafava, ASupuran, CTCarta, F Design and Synthesis of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Treatment of Rheumatoid Arthritis. J Med Chem60:1159-1170 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase
Name:Carbonic anhydrase
Synonyms:CA-XII | Carbonate dehydratase XII | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:Enzyme
Mol. Mass.:39456.00
Organism:Homo sapiens (Human)
Description:Catalytic domain of human cloned isozyme was used in the assay
Residue:354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDL
HSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHL
HWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFN
PSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFR
NPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGL
SLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50230205
NameBDBM50230205
Synonyms:CHEMBL4088636
TypeSmall organic molecule
Emp. Form.C25H23NO5
Mol. Mass.417.4538
SMILESCOc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 |r|
Structure
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n/a