Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50550952
Substrate
n/a
Meas. Tech.
ChEMBL_2029083 (CHEMBL4683241)
Ki
90±n/a nM
Citation
 Khalil, OM; Kamal, AM; Bua, S; El Sayed Teba, H; Nissan, YM; Supuran, CT Pyrrolo and pyrrolopyrimidine sulfonamides act as cytotoxic agents in hypoxia via inhibition of transmembrane carbonic anhydrases. Eur J Med Chem 188:0 (2020) [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:
BDBM50550952
Synonyms:
CHEMBL4740144
Type:
Small organic molecule
Emp. Form.:
C24H16ClN5O4S
Mol. Mass.:
505.933
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1\N=C\c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: