Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50335808
Substrate
n/a
Meas. Tech.
ChEMBL_1621727 (CHEMBL3864010)
IC50
5000000±n/a nM
Citation
 Malhotra, S; Karanicolas, J When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode? J Med Chem 60:128-145 (2017) [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:
BDBM50335808
Synonyms:
2,5-Dihydroxybenzoate, VI | 2,5-dihydroxybenzoic acid | CHEMBL1461 | gentisic acid
Type:
Small organic molecule
Emp. Form.:
C7H6O4
Mol. Mass.:
154.1201
SMILES:
OC(=O)c1cc(O)ccc1O
Structure:
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