Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM222053
Substrate
n/a
Meas. Tech.
ChEMBL_2191929 (CHEMBL5104289)
Ki
0.245±n/a nM
Citation
 Kumar, S; Rulhania, S; Jaswal, S; Monga, V Recent advances in the medicinal chemistry of carbonic anhydrase inhibitors. Eur J Med Chem 209:0 (2021) [PubMed] 
Target
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:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
Inhibitor
Name:
BDBM222053
Synonyms:
(3aR,4S,7R,7aS)-2-(4-((E)-3-(2-chlorophenyl)acryloyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7h)
Type:
Small organic molecule
Emp. Form.:
C24H18ClNO3
Mol. Mass.:
403.858
SMILES:
Clc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26|
Structure:
Search PDB for entries with ligand similarity: