Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50278780
Substrate
n/a
Meas. Tech.
ChEMBL_625071 (CHEMBL1112520)
Ki
6.9±n/a nM
Citation
 Lopez, M; Bornaghi, LF; Innocenti, A; Vullo, D; Charman, SA; Supuran, CT; Poulsen, SA Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem 53:2913-26 (2010) [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:
BDBM50278780
Synonyms:
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl)methylsulfonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyranosyl]sulfonylmethyl}-1-H-1,2,3-triazol-1-yl)benzenesulfonamide | CHEMBL444912
Type:
Small organic molecule
Emp. Form.:
C23H28N4O13S2
Mol. Mass.:
632.617
SMILES:
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: