Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM36576
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
6.4e+4±n/a nM
Citation
 Obst, U; Banner, DW; Weber, L; Diederich, F Molecular recognition at the thrombin active site: structure-based design and synthesis of potent and selective thrombin inhibitors and the X-ray crystal structures of two thrombin-inhibitor complexes. Chem Biol 4:287-95 (1997) [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:
BDBM36576
Synonyms:
Bicyclic core, rac-13a
Type:
small organic molecule
Emp. Form.:
C25H30N4O3
Mol. Mass.:
434.5307
SMILES:
C[C@@H]1C2C([C@@H](N(C)C2(C)C)c2ccc(cc2)C(N)=N)C(=O)N1Cc1ccc2OCOc2c1 |r|
Structure:
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