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Target
Carbonic anhydrase 2
Ligand
BDBM50031455
Substrate
n/a
Meas. Tech.
ChEMBL_45052 (CHEMBL658050)
Kd
50±n/a nM
Citation
 Boriack, PA; Christianson, DW; Kingery-Wood, J; Whitesides, GM Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants. J Med Chem 38:2286-91 (1995) [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:
BDBM50031455
Synonyms:
(R)-3,7-Diamino-2-oxo-1-(2-{2-[2-(4-sulfamoyl-benzoylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-heptyl-ammonium
Type:
Small organic molecule
Emp. Form.:
C21H37N6O7S
Mol. Mass.:
517.619
SMILES:
NCCCCC(N)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Structure:
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