Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50003677
Substrate
n/a
Meas. Tech.
ChEMBL_1643898 (CHEMBL3992827)
Ki
>50000±n/a nM
Citation
 van Kuijk, SJA; Parvathaneni, NK; Niemans, R; van Gisbergen, MW; Carta, F; Vullo, D; Pastorekova, S; Yaromina, A; Supuran, CT; Dubois, LJ; Winum, JY; Lambin, P New approach of delivering cytotoxic drugs towards CAIX expressing cells: A concept of dual-target drugs. Eur J Med Chem 127:691-702 (2017) [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:
BDBM50003677
Synonyms:
4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid | 4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid | 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid | Ambochlorin | CHEMBL515 | CHLORAMBUCIL | Leukeran | N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid | chloraminophen | gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid | phenylbutyric acid nitrogen mustard
Type:
Small organic molecule
Emp. Form.:
C14H19Cl2NO2
Mol. Mass.:
304.212
SMILES:
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
Structure:
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