Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50078643
Substrate
n/a
Meas. Tech.
ChEMBL_1471414 (CHEMBL3419421)
Kd
0.090000±n/a nM
Citation
 Huang, Q; Rui, EY; Cobbs, M; Dinh, DM; Gukasyan, HJ; Lafontaine, JA; Mehta, S; Patterson, BD; Rewolinski, DA; Richardson, PF; Edwards, MP Design, synthesis, and evaluation of NO-donor containing carbonic anhydrase inhibitors to lower intraocular pressure. J Med Chem 58:2821-33 (2015) [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:
BDBM50078643
Synonyms:
CHEMBL3415383
Type:
Small organic molecule
Emp. Form.:
C11H18N4O7S3
Mol. Mass.:
414.478
SMILES:
CCN[C@H]1CN(CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Structure:
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