Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50428439
Substrate
n/a
Meas. Tech.
ChEMBL_942131 (CHEMBL2341287)
Ki
9.7±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 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50428439
Synonyms:
6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumarin | CHEMBL253551
Type:
Small organic molecule
Emp. Form.:
C12H12O5
Mol. Mass.:
236.2207
SMILES:
COc1cc2ccc(=O)oc2c(OC)c1OC
Structure:
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