Reaction Details Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM50054484
Substrate
n/a
Meas. Tech.
ChEMBL_212174 (CHEMBL815149)
IC50
329±n/a nM
Citation
 Levy, OE; Semple, JE; Lim, ML; Reiner, J; Rote, WE; Dempsey, E; Richard, BM; Zhang, E; Tulinsky, A; Ripka, WC; Nutt, RF Potent and selective thrombin inhibitors incorporating the constrained arginine mimic l-3-piperidyl(N-guanidino)alanine at P1. J Med Chem 39:4527-30 (1996) [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:
BDBM50054484
Synonyms:
CHEMBL344204 | CVS-1778 | N-((S)-1-Formyl-4-guanidino-butyl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C21H32N6O5S
Mol. Mass.:
480.581
SMILES:
NC(=N)NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C=O
Structure:
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