Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50511168
Substrate
n/a
Meas. Tech.
ChEMBL_1844003 (CHEMBL4344430)
Kd
757±n/a nM
Citation
 Ngo, K; Collins-Kautz, C; Gerstenecker, S; Wagner, B; Heine, A; Klebe, G Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J Med Chem 63:3274-3289 (2020) [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:
BDBM50511168
Synonyms:
CHEMBL4465587
Type:
Small organic molecule
Emp. Form.:
C30H30F6N4O6
Mol. Mass.:
656.5728
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1 |r|
Structure:
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