Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50156693
Substrate
n/a
Meas. Tech.
ChEMBL_942130 (CHEMBL2341286)
Ki
>100000±n/a nM
Citation
 Davis, RA; Vullo, D; Maresca, A; Supuran, CT; Poulsen, SA Natural product coumarins that inhibit human carbonic anhydrases. Bioorg Med Chem 21:1539-43 (2013) [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:
BDBM50156693
Synonyms:
6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | 6-O-Methylesculetin | 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one | 7-hydroxy-6-methoxy-2H-chromen-2-one | CHEMBL71851 | scopoletin
Type:
Small organic molecule
Emp. Form.:
C10H8O4
Mol. Mass.:
192.1681
SMILES:
COc1cc2ccc(=O)oc2cc1O
Structure:
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