Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetChymotrypsin
LigandBDBM50098870
Substrate/Competitorn/a
Meas. Tech.ChEMBL_49619
Ki 147±n/a nM
Citation Akahoshi, FAshimori, ASakashita, HYoshimura, TEda, MImada, TNakajima, MMitsutomi, NKuwahara, SOhtsuka, TFukaya, CMiyazaki, MNakamura, N Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. J Med Chem44:1297-304 (2001) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Chymotrypsin
Name:Chymotrypsin C
Synonyms:Caldecrin | Chymotrypsin C | Chymotrypsin-C
Type:Enzyme
Mol. Mass.:29487.98
Organism:Homo sapiens (Human)
Description:Q99895
Residue:268
Sequence:
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCG
GTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRN
DIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPV
VDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSR
RGCNTRKKPVVYTRVSAYIDWINEKMQL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50098870
NameBDBM50098870
Synonyms:CHEMBL26182 | {4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino}-acetic acid methyl ester
TypeSmall organic molecule
Emp. Form.C27H27F2N5O6
Mol. Mass.555.53
SMILESCOC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a