Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM13073
Substrate
BDBM11326
Meas. Tech.
Carbonic Anhydrase Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.62±n/a nM
Citation
 Gruneberg, S; Stubbs, MT; Klebe, G Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J Med Chem 45:3588-602 (2002) [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:
BDBM13073
Synonyms:
2000-07790 | 3-nitro-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide | LeadQuest Compound 7
Type:
Small organic molecule
Emp. Form.:
C10H11N3O5S
Mol. Mass.:
285.276
SMILES:
NS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11326
Synonyms:
4-nitrophenyl acetate | p-Nitrophenyl Acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: