Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50573543
Substrate
n/a
Meas. Tech.
ChEMBL_2119722 (CHEMBL4828869)
Ki
9100±n/a nM
Citation
 Salerno, S; Amendola, G; Angeli, A; Baglini, E; Barresi, E; Marini, AM; Ravichandran, R; Viviano, M; Castellano, S; Novellino, E; Da Settimo, F; Supuran, CT; Cosconati, S; Taliani, S Inhibition studies on carbonic anhydrase isoforms I, II, IV and IX with N-arylsubstituted secondary sulfonamides featuring a bicyclic tetrahydroindazole scaffold. Eur J Med Chem 220:0 (2021) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | 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 | 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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50573543
Synonyms:
CHEMBL4878111
Type:
Small organic molecule
Emp. Form.:
C21H20ClN3O3S
Mol. Mass.:
429.92
SMILES:
CC1(C)Cc2c(cnn2-c2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)C1
Structure:
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