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Target
Carbonic anhydrase 1
Ligand
BDBM50428389
Substrate
n/a
Meas. Tech.
ChEMBL_942106 (CHEMBL2340804)
Ki
780±n/a nM
Citation
 Carta, F; Vullo, D; Maresca, A; Scozzafava, A; Supuran, CT Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem 21:1564-9 (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:
BDBM50428389
Synonyms:
CHEMBL146816 | Methyl 3-(4-Hydroxyphenyl)Acrylate | Methyl P-Hydroxycinnamate | Methyl Trans-P-Coumaric Acid | Methyl-P-Coumarate | P-Hydroxy Cinnamic Acid Methyl Ester
Type:
Small organic molecule
Emp. Form.:
C10H10O3
Mol. Mass.:
178.1846
SMILES:
COC(=O)\C=C\c1ccc(O)cc1
Structure:
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