Reaction Details Report a problem with these data
Target
Chymotrypsin-C
Ligand
BDBM50098874
Substrate
n/a
Meas. Tech.
ChEMBL_49619 (CHEMBL660458)
Ki
458±n/a nM
Citation
 Akahoshi, F; Ashimori, A; Sakashita, H; Yoshimura, T; Eda, M; Imada, T; Nakajima, M; Mitsutomi, N; Kuwahara, S; Ohtsuka, T; Fukaya, C; Miyazaki, M; Nakamura, N Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. J Med Chem 44:1297-304 (2001) [PubMed]  Article 
Target
Name:
Chymotrypsin-C
Synonyms:
Chymotrypsin C | Chymotrypsin-C | Caldecrin | Chymotrypsin | CTRC_HUMAN | CTRC | CLCR
Type:
Enzyme
Mol. Mass.:
29487.98
Organism:
Human
Description:
Q99895
Residue:
268
Sequence:
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCGGTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRNDIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPVVDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSRRGCNTRKKPVVYTRVSAYIDWINEKMQL
  
Inhibitor
Name:
BDBM50098874
Synonyms:
4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetylamino}-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid benzylamide | CHEMBL24734
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Structure:
Search PDB for entries with ligand similarity: