Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50056771
Substrate
n/a
Meas. Tech.
ChEMBL_212515 (CHEMBL817580)
Ki
11000±n/a nM
Citation
 Feng, DM; Gardell, SJ; Lewis, SD; Bock, MG; Chen, Z; Freidinger, RM; Naylor-Olsen, AM; Ramjit, HG; Woltmann, R; Baskin, EP; Lynch, JJ; Lucas, R; Shafer, JA; Dancheck, KB; Chen, IW; Mao, SS; Krueger, JA; Hare, TR; Mulichak, AM; Vacca, JP Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position. J Med Chem 40:3726-33 (1997) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM50056771
Synonyms:
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H34N4O2
Mol. Mass.:
386.531
SMILES:
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(N)CC1 |wU:16.18,21.22,wD:2.1,(5.43,-11.22,;5.29,-9.68,;6.56,-8.79,;6.43,-7.27,;5.03,-6.59,;3.77,-7.5,;2.37,-6.83,;2.25,-5.29,;3.51,-4.42,;4.91,-5.07,;7.95,-9.44,;8.08,-10.98,;9.21,-8.58,;9.21,-7.04,;10.73,-6.57,;11.61,-7.83,;10.67,-9.07,;11.12,-10.54,;10.07,-11.66,;12.62,-10.89,;13.67,-9.77,;13.22,-8.3,;13.39,-6.83,;12.84,-5.45,;13.92,-4.35,;13.15,-3.02,;13.92,-6.01,;14.44,-7.48,)|
Structure:
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