Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM14299
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
Ki
6900±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:
BDBM14299
Synonyms:
benzthiazole analog 2 | benzyl N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-{1H-pyrrolo[3,2-c]pyridin-2-yl}propan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C25H20N4O3S
Mol. Mass.:
456.516
SMILES:
O=C(N[C@@H](Cc1cc2cnccc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1 |r|