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Target
Serine protease 1
Ligand
BDBM50096622
Substrate
n/a
Meas. Tech.
ChEBML_212852
Ki
29±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:
BDBM50096622
Synonyms:
CHEMBL3084834 | {3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionylamino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C26H35N5O8S
Mol. Mass.:
577.65
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)C(=O)NCC(O)=O |wU:4.23,28.31,1.0,wD:25.27,(5.27,4.74,;5.27,3.18,;6.74,3.66,;7.65,2.41,;6.74,1.17,;5.27,1.64,;3.94,.87,;3.94,-.68,;2.6,1.64,;2.6,3.18,;3.94,3.95,;1.25,3.95,;.48,2.61,;2.02,5.31,;-.09,4.72,;-.11,6.28,;-1.44,7.05,;-1.44,8.59,;-.11,9.36,;1.22,8.59,;1.22,7.05,;7.21,-.29,;6.18,-1.45,;8.71,-.63,;9.19,-2.1,;8.14,-3.25,;6.65,-2.91,;5.61,-4.05,;6.09,-5.5,;5.06,-6.66,;7.58,-5.85,;8.61,-4.71,;10.69,-2.43,;11.72,-1.29,;11.16,-3.9,;10.02,-4.93,;12.56,-4.54,;12.7,-6.08,;14.11,-6.71,;14.26,-8.25,;15.37,-5.81,)|
Structure:
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