Reaction Details
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Serine protease 1
Ligand
BDBM237191
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
8±n/a
IC50
40000±n/a nM
Comments
extracted
Citation
Viskupicova, J; Danihelova, M; Majekova, M; Liptaj, T; Sturdik, E Polyphenol fatty acid esters as serine protease inhibitors: a quantum-chemical QSAR analysis. J Enzyme Inhib Med Chem 27:800-9 (2012) [PubMed] Article More Info.:
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
Inhibitor
Name:
BDBM237191
Synonyms:
Rutin palmitate
Type:
Small organic molecule
Emp. Form.:
C43H60O17
Mol. Mass.:
848.9263
SMILES:
CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Structure:
