Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50472470
Substrate
n/a
Meas. Tech.
ChEMBL_213236 (CHEMBL821446)
Ki
729±n/a nM
Citation
 Böhm, M; St rzebecher, J; Klebe, G Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J Med Chem 42:458-77 (1999) [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:
BDBM50472470
Synonyms:
CHEMBL142241
Type:
Small organic molecule
Emp. Form.:
C30H42N4O4S
Mol. Mass.:
554.744
SMILES:
[H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C)C(=O)N1CCC(C)CC1
Structure:
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