Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50003740
Substrate
n/a
Meas. Tech.
ChEMBL_212370 (CHEMBL817618)
KOFF
0.000033 s-1
Citation
 Rai, R; Katzenellenbogen, JA Effect of conformational mobility and hydrogen-bonding interactions on the selectivity of some guanidinoaryl-substituted mechanism-based inhibitors of trypsin-like serine proteases. J Med Chem 35:4297-305 (1992) [PubMed]  Article 
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:
BDBM50003740
Synonyms:
(Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-pyran-4-yl)-phenyl]-guanidine | CHEMBL134926 | amino{[4-(2-methylene-6-oxotetrahydro-2H-pyran-4-yl)phenyl]amino}methaniminium
Type:
Small organic molecule
Emp. Form.:
C13H15N3O2
Mol. Mass.:
245.2771
SMILES:
[#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6]-1-[#6]-[#6](=[#6])-[#8]-[#6](=O)-[#6]-1
Structure:
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