Reaction Details Report a problem with these data
Target
Serine protease 1/Trypsin-2
Ligand
BDBM50087903
Substrate
n/a
Meas. Tech.
ChEMBL_212684 (CHEMBL815469)
Ki
1360±n/a nM
Citation
 Supuran, CT; Scozzafava, A; Briganti, F; Clare, BW Protease inhibitors: synthesis and QSAR study of novel classes of nonbasic thrombin inhibitors incorporating sulfonylguanidine and O-methylsulfonylisourea moieties at P1. J Med Chem 43:1793-806 (2000) [PubMed]  Article 
Target
Name:
Serine protease 1/Trypsin-2
Synonyms:
Trypsin II
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 212335
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Trypsin-2
Synonyms:
Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | Trypsin II | Trypsin-2
Type:
PROTEIN
Mol. Mass.:
26479.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_41517
Residue:
247
Sequence:
MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVINSRVSAISLPTAPPAAGTESLISGWGNTLSSGADYPDELQCLDAPVLSQAECEASYPGKITNNMFCVGFLEGGKDSCQGDSGGPVVSNGELQGIVSWGYGCAQKNRPGVYTKVYNYVDWIKDTIAANS
  
Inhibitor
Name:
BDBM50087903
Synonyms:
(1-Benzyl-2-{2-[4-(diaminomethylene-sulfamoyl)-phenylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethyl)-carbamic acid benzyl ester | CHEMBL53576
Type:
Small organic molecule
Emp. Form.:
C29H32N6O6S
Mol. Mass.:
592.666
SMILES:
NC(=N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: