Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetChymotrypsin
LigandBDBM50068919
Substrate/Competitorn/a
Meas. Tech.ChEBML_49617
Ki 1300±n/a nM
Citation Eda, MAshimori, AAkahoshi, FYoshimura, TInoue, YFukaya, CNakajima, MFukuyama, HImada, TTakai, SShiota, NMiyazaki, MNakamura, N Peptidyl human heart chymase inhibitors. 2. Discovery of highly selective difluoromethylene ketone derivatives with Glu at P3 site. Bioorg Med Chem Lett8:919-24 (1999) [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:
BDBM50068919
NameBDBM50068919
Synonyms:3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid | CHEMBL436061
TypeSmall organic molecule
Emp. Form.C33H38F2N4O10
Mol. Mass.688.6724
SMILESCC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a