Reaction Details  Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM50038002
Substrate
n/a
Meas. Tech.
ChEMBL_210686 (CHEMBL817284)
Kd
14791084±n/a nM
Citation
 Ishchenko, AV; Shakhnovich, EI SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J Med Chem 45:2770-80 (2002) [PubMed]  Article
Target
Name:
Anionic trypsin
Synonyms:
Anionic trypsin | TRY2_BOVIN | Trypsin II
Type:
PROTEIN
Mol. Mass.:
26281.39
Organism:
Bos taurus
Description:
ChEMBL_212177
Residue:
247
Sequence:
MHPLLILAFVGAAVAFPSDDDDKIVGGYTCAENSVPYQVSLNAGYHFCGGSLINDQWVVSAAHCYQYHIQVRLGEYNIDVLEGGEQFIDASKIIRHPKYSSWTLDNDILLIKLSTPAVINARVSTLLLPSACASAGTECLISGWGNTLSSGVNYPDLLQCLVAPLLSHADCEASYPGQITNNMICAGFLEGGKDSCQGDSGGPVACNGQLQGIVSWGYGCAQKGKPGVYTKVCNYVDWIQETIAANS
  
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:
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