Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50134938
Substrate
n/a
Meas. Tech.
ChEMBL_1544509 (CHEMBL3750091)
IC50
700±n/a nM
Citation
 Hartung, IV; Hammer, S; Hitchcock, M; Neuhaus, R; Scholz, A; Siemeister, G; Bohlmann, R; Hillig, RC; Pühler, F Optimization of allosteric MEK inhibitors. Part 2: Taming the sulfamide group balances compound distribution properties. Bioorg Med Chem Lett 26:186-93 (2015) [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:
BDBM50134938
Synonyms:
CHEMBL3747256
Type:
Small organic molecule
Emp. Form.:
C20H17F2IN4O4S
Mol. Mass.:
574.34
SMILES:
Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O
Structure:
Search PDB for entries with ligand similarity: