Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM14316
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
Ki
53±n/a nM
Citation
McGrath, ME; Sprengeler, PA; Hirschbein, B; Somoza, JR; Lehoux, I; Janc, JW; Gjerstad, E; Graupe, M; Estiarte, A; Venkataramani, C; Liu, Y; Yee, R; Ho, JD; Green, MJ; Lee, CS; Liu, L; Tai, V; Spencer, J; Sperandio, D; Katz, BA Structure-guided design of peptide-based tryptase inhibitors. Biochemistry 45:5964-73 (2006) [PubMed] Article
More Info.:
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:
BDBM14316
Synonyms:
(2R)-N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenyl]methyl}-1,2,4-oxadiazol-3-yl)-1-oxo-4-(pyrrolidin-3-yl)butan-2-yl]-1-acetylpyrrolidine-2-carboxamide | CRA27
Type:
Small organic molecule
Emp. Form.:
C34H40N6O5
Mol. Mass.:
612.7186
SMILES:
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|