Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50096625
Substrate
n/a
Meas. Tech.
ChEBML_212852
Ki
>400±n/a nM
Citation
 Bachand, B; Tarazi, M; St-Denis, Y; Edmunds, JJ; Winocour, PD; Leblond, L; Siddiqui, MA Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors. Bioorg Med Chem Lett 11:287-90 (2001) [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:
BDBM50096625
Synonyms:
(5-{2-(4-Amino-cyclohexyl)-2-[((6S,8aS)-4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-acetyl}-tetrazol-1-yl)-acetic acid | CHEMBL3084835
Type:
Small organic molecule
Emp. Form.:
C26H34N8O7S
Mol. Mass.:
602.663
SMILES:
[H][C@@]12CC[C@H](N1C(=O)CN(C2)S(=O)(=O)Cc1ccccc1)C(=O)NC([C@H]1CC[C@H](N)CC1)C(=O)c1nnnn1CC(O)=O |wU:4.23,28.31,1.0,wD:25.27,(4.25,3.51,;4.25,1.96,;5.69,2.44,;6.6,1.19,;5.69,-.06,;4.25,.4,;2.91,-.35,;2.91,-1.92,;1.6,.4,;1.6,1.96,;2.91,2.74,;.26,2.74,;-.5,1.38,;1.02,4.08,;-1.08,3.51,;-1.08,5.05,;-2.42,5.85,;-2.42,7.39,;-1.08,8.14,;.24,7.39,;.24,5.85,;6.17,-1.54,;5.13,-2.68,;7.63,-1.87,;8.11,-3.34,;7.08,-4.49,;5.59,-4.15,;4.55,-5.28,;5.06,-6.75,;4.02,-7.9,;6.52,-7.09,;7.56,-5.96,;9.6,-3.67,;10.64,-2.53,;10.06,-5.15,;9.05,-6.29,;9.78,-7.62,;11.29,-7.33,;11.44,-5.78,;12.81,-5.01,;14.15,-5.81,;15.51,-5.02,;14.15,-7.36,)|
Structure:
Search PDB for entries with ligand similarity: