Target
Serine protease 1
Ligand
BDBM50072741
Substrate
n/a
Meas. Tech.
ChEBML_225795
IC50
11940±n/a nM
Citation
 Plummer, JSBerryman, KACai, CCody, WLDiMaio, JDoherty, AMEdmunds, JJHe, JXHolland, DRLevesque, SKent, DRNarasimhan, LSRubin, JRRapundalo, STSiddiqui, MASusser, AJSt-Denis, YWinocour, PD Potent and selective bicyclic lactam inhibitors of thrombin: Part 2: P1 modifications. Bioorg Med Chem Lett 8:3409-14 (1999) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
  
Inhibitor
Name:
BDBM50072741
Synonyms:
(6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-1-(1-carbamimidoyl-piperidin-4-yl)-2-oxo-2-thiazol-2-yl-ethyl]-amide | (6S,8aS)-N-((S)-1-(1-carbamimidoylpiperidin-4-yl)-2-oxo-2-(thiazol-2-yl)ethyl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide | CHEMBL333154
Type:
Small organic molecule
Emp. Form.:
C28H35N7O4S
Mol. Mass.:
565.687
SMILES:
NC(=N)N1CCC(CC1)[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Structure:
Search PDB for entries with ligand similarity: