Reaction Details Report a problem with these data
Target
Chymotrypsin-C
Ligand
BDBM50068914
Substrate
n/a
Meas. Tech.
ChEBML_49617
Ki
476.0±n/a nM
Citation
 Eda, M; Ashimori, A; Akahoshi, F; Yoshimura, T; Inoue, Y; Fukaya, C; Nakajima, M; Fukuyama, H; Imada, T; Takai, S; Shiota, N; Miyazaki, M; Nakamura, N Peptidyl human heart chymase inhibitors. 2. Discovery of highly selective difluoromethylene ketone derivatives with Glu at P3 site. Bioorg Med Chem Lett 8:919-24 (1999) [PubMed]  Article 
Target
Name:
Chymotrypsin-C
Synonyms:
CLCR | CTRC | CTRC_HUMAN | Caldecrin | Chymotrypsin | Chymotrypsin C | Chymotrypsin-C
Type:
Enzyme
Mol. Mass.:
29487.98
Organism:
Homo sapiens (Human)
Description:
Q99895
Residue:
268
Sequence:
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCGGTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRNDIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPVVDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSRRGCNTRKKPVVYTRVSAYIDWINEKMQL
  
Inhibitor
Name:
BDBM50068914
Synonyms:
5-{(S)-2-[1-Benzyl-3-(3-butylsulfamoyl-phenylcarbamoyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-pyrrolidin-1-yl}-4-tert-butoxycarbonylamino-5-oxo-pentanoic acid | CHEMBL433799
Type:
Small organic molecule
Emp. Form.:
C36H47F2N5O10S
Mol. Mass.:
779.848
SMILES:
CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)C(Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)c1
Structure:
Search PDB for entries with ligand similarity: