Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50366069
Substrate
n/a
Meas. Tech.
ChEMBL_807743 (CHEMBL1959871)
Ki
7±n/a nM
Citation
 Moeker, J; Teruya, K; Rossit, S; Wilkinson, BL; Lopez, M; Bornaghi, LF; Innocenti, A; Supuran, CT; Poulsen, SA Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases. Bioorg Med Chem 20:2392-404 (2012) [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:
BDBM50366069
Synonyms:
CHEMBL1956743
Type:
Small organic molecule
Emp. Form.:
C21H27N3O11S2
Mol. Mass.:
561.583
SMILES:
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Structure:
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