Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50112494
Substrate
n/a
Meas. Tech.
ChEBML_213077
Ki
3±n/a nM
Citation
 Shaw, KJ; Guilford, WJ; Griedel, BD; Sakata, S; Trinh, L; Wu, S; Xu, W; Zhao, Z; Morrissey, MM Benzimidazole-based fXa inhibitors with improved thrombin and trypsin selectivity. Bioorg Med Chem Lett 12:1311-4 (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:
BDBM50112494
Synonyms:
7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methyl-4-nitro-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine | CHEMBL25351
Type:
Small organic molecule
Emp. Form.:
C27H29N7O3
Mol. Mass.:
499.5643
SMILES:
CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)|
Structure:
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