Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50113784
Substrate
n/a
Meas. Tech.
ChEMBL_212873 (CHEMBL817823)
Ki
7300±n/a nM
Citation
 Danilewicz, JC; Abel, SM; Brown, AD; Fish, PV; Hawkeswood, E; Holland, SJ; James, K; McElroy, AB; Overington, J; Powling, MJ; Rance, DJ Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence. J Med Chem 45:2432-53 (2002) [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:
BDBM50113784
Synonyms:
CHEMBL81844 | R-(2-{2-[2-(4-Carbamimidoyl-phenoxy)-ethyl]-piperidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
Type:
Small organic molecule
Emp. Form.:
C25H38N4O4
Mol. Mass.:
458.5936
SMILES:
NC(=N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: