Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50367295
Substrate
n/a
Meas. Tech.
ChEMBL_1735823 (CHEMBL4151359)
Ki
>10000±n/a nM
Citation
 Melis, C; Distinto, S; Bianco, G; Meleddu, R; Cottiglia, F; Fois, B; Taverna, D; Angius, R; Alcaro, S; Ortuso, F; Gaspari, M; Angeli, A; Del Prete, S; Capasso, C; Supuran, CT; Maccioni, E Targeting Tumor Associated Carbonic Anhydrases IX and XII: Highly Isozyme Selective Coumarin and Psoralen Inhibitors. ACS Med Chem Lett 9:725-729 (2018) [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:
BDBM50367295
Synonyms:
CHEMBL4172130
Type:
Small organic molecule
Emp. Form.:
C21H17ClO6
Mol. Mass.:
400.809
SMILES:
COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O
Structure:
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