Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50100861
Substrate
n/a
Meas. Tech.
ChEMBL_716903 (CHEMBL1670882)
Ki
470±n/a nM
Citation
 Durdagi, S; Sentürk, M; Ekinci, D; Balaydin, HT; Göksu, S; Küfrevioglu, ÖI; Innocenti, A; Scozzafava, A; Supuran, CT Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site. Bioorg Med Chem 19:1381-9 (2011) [PubMed]  Article 
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:
BDBM50100861
Synonyms:
3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic acid | 4,5-Dihydroxybenzoic acid | 4-Carboxy-1,2-dihydroxybenzene | CHEMBL37537 | Protocatechuic acid | Protocatechuic acid (M1) | Protocatehuic acid | cid_72
Type:
Small organic molecule
Emp. Form.:
C7H6O4
Mol. Mass.:
154.1201
SMILES:
OC(=O)c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: