Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50038002
Substrate
n/a
Meas. Tech.
ChEMBL_212517 (CHEMBL817582)
Ki
31±n/a nM
Citation
 Kastenholz, MA; Pastor, M; Cruciani, G; Haaksma, EE; Fox, T GRID/CPCA: a new computational tool to design selective ligands. J Med Chem 43:3033-44 (2000) [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:
BDBM50038002
Synonyms:
Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537204 | benzamidine
Type:
Small organic molecule
Emp. Form.:
C7H8N2
Mol. Mass.:
120.1518
SMILES:
NC(=N)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: