Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM12657
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
Ki
60±n/a nM
Citation
Quan, ML; Lam, PY; Han, Q; Pinto, DJ; He, MY; Li, R; Ellis, CD; Clark, CG; Teleha, CA; Sun, JH; Alexander, RS; Bai, S; Luettgen, JM; Knabb, RM; Wong, PC; Wexler, RR Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem 48:1729-44 (2005) [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:
BDBM12657
Synonyms:
1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsulfonyl)-[1,1-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methanesulfonylphenyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | CHEMBL559015 | DPC 423 | DPC423
Type:
Small organic molecule
Emp. Form.:
C25H20F4N4O3S
Mol. Mass.:
532.51
SMILES:
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1