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Target
Serine protease 1/Trypsin-2
Ligand
BDBM50062700
Substrate
n/a
Meas. Tech.
ChEMBL_212349 (CHEMBL816796)
IC50
2600±n/a nM
Citation
 Klein, SI; Czekaj, M; Gardner, CJ; Guertin, KR; Cheney, DL; Spada, AP; Bolton, SA; Brown, K; Colussi, D; Heran, CL; Morgan, SR; Leadley, RJ; Dunwiddie, CT; Perrone, MH; Chu, V Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa. J Med Chem 41:437-50 (1998) [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:
BDBM50062700
Synonyms:
(E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethyl-biphenyl-4-carbonyl)-amino]-5-phenyl-pent-4-enoic acid methyl ester | CHEMBL342211
Type:
Small organic molecule
Emp. Form.:
C35H35N3O3
Mol. Mass.:
545.6707
SMILES:
CCc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: