Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM11050
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
42±n/a nM
Citation
 De Simone, G; Vitale, RM; Di Fiore, A; Pedone, C; Scozzafava, A; Montero, JL; Winum, JY; Supuran, CT Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX. J Med Chem 49:5544-51 (2006) [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:
BDBM11050
Synonyms:
N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-3-[(2-{[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]carbamoyl}ethyl)disulfanyl]propanamide | N-[(2E)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[(3-{[(2E)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]amino}-3-oxopropyl)dithio]propanamide | disulfide-containing sulfonamide 4
Type:
Small organic molecule
Emp. Form.:
C12H18N8O6S6
Mol. Mass.:
562.711
SMILES:
Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O |w:6.7,17.17|
Structure:
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Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
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