Reaction Details Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM50054483
Substrate
n/a
Meas. Tech.
ChEMBL_212174 (CHEMBL815149)
IC50
113±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:
BDBM50054483
Synonyms:
(S)-4-{(S)-2-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethylcarbamoyl]-pyrrolidin-1-yl}-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester | CHEMBL342838
Type:
Small organic molecule
Emp. Form.:
C27H46N6O6
Mol. Mass.:
550.6907
SMILES:
CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCN(C1)C(N)=N)C=O
Structure:
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