Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50221252
Substrate
n/a
Meas. Tech.
ChEMBL_449548 (CHEMBL899814)
Ki
2670±n/a nM
Citation
 Abdel-Hamid, MK; Abdel-Hafez, AA; El-Koussi, NA; Mahfouz, NM; Innocenti, A; Supuran, CT Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity. Bioorg Med Chem 15:6975-84 (2007) [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:
BDBM50221252
Synonyms:
4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[alpha-(3-methoxy phenyl)methylene]semicarbazide | CHEMBL394938
Type:
Small organic molecule
Emp. Form.:
C11H11N5O2S2
Mol. Mass.:
309.367
SMILES:
COc1cccc(C=NNC(=O)Nc2nnc(S)s2)c1 |w:8.8|
Structure:
Search PDB for entries with ligand similarity: