Reaction Details Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM50054485
Substrate
n/a
Meas. Tech.
ChEMBL_212174 (CHEMBL815149)
IC50
60700±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:
BDBM50054485
Synonyms:
CHEMBL342604 | N-[(S)-1-((R)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethyl]-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C23H34N6O5S
Mol. Mass.:
506.618
SMILES:
NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1
Structure:
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