Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50154318
Substrate
n/a
Meas. Tech.
ChEMBL_302417 (CHEMBL828821)
Ki
4±n/a nM
Citation
 Innocenti, A; Casini, A; Alcaro, MC; Papini, AM; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library. J Med Chem 47:5224-9 (2004) [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:
BDBM50154318
Synonyms:
(2S,3S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]-pentanoic acid | CHEMBL361699
Type:
Small organic molecule
Emp. Form.:
C13H19N3O4S2
Mol. Mass.:
345.438
SMILES:
CC[C@H](C)[C@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: