Reaction Details Report a problem with these data
Target
Serine protease 1/Trypsin-2
Ligand
BDBM50155627
Substrate
n/a
Meas. Tech.
ChEMBL_305280 (CHEMBL832829)
IC50
>10000±n/a nM
Citation
 Mederski, WW; Cezanne, B; van Amsterdam, C; Bühring, KU; Dorsch, D; Gleitz, J; März, J; Tsaklakidis, C Chlorothiophenecarboxamides as P1 surrogates of inhibitors of blood coagulation factor Xa. Bioorg Med Chem Lett 14:5817-22 (2004) [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:
BDBM50155627
Synonyms:
5-Chloro-thiophene-2-carboxylic acid {(S)-3-methyl-1-[4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-butyl}-amide | CHEMBL184653
Type:
Small organic molecule
Emp. Form.:
C21H24ClN3O4S
Mol. Mass.:
449.951
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Structure:
Search PDB for entries with ligand similarity: