Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50386170
Substrate
n/a
Meas. Tech.
CA Activity Assay
pH
7.4±n/a
Ki
537311±n/a nM
Comments
extracted
Citation
 Balaydin, HT; Durdagi, S; Ekinci, D; Sentürk, M; Göksu, S; Menzek, A Inhibition of human carbonic anhydrase isozymes I, II and VI with a series of bisphenol, methoxy and bromophenol compounds. J Enzyme Inhib Med Chem 27:467-75 (2012) [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:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50386170
Synonyms:
CHEMBL2016664 | hCA inhibitor, 4
Type:
Small organic molecule
Emp. Form.:
C17H20O4
Mol. Mass.:
288.3383
SMILES:
COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC
Structure:
Search PDB for entries with ligand similarity: