Reaction Details Report a problem with these data
Target
Granzyme B
Ligand
BDBM50116258
Substrate
n/a
Meas. Tech.
ChEBML_72172
Ki
133±n/a nM
Citation
 Willoughby, CA; Bull, HG; Garcia-Calvo, M; Jiang, J; Chapman, KT; Thornberry, NA Discovery of potent, selective human granzyme B inhibitors that inhibit CTL mediated apoptosis. Bioorg Med Chem Lett 12:2197-200 (2002) [PubMed]  Article 
Target
Name:
Granzyme B
Synonyms:
CGL1 | CSPB | CTLA1 | GRAB_HUMAN | GRB | GZMB
Type:
PROTEIN
Mol. Mass.:
27735.56
Organism:
Homo sapiens (Human)
Description:
ChEMBL_469245
Residue:
247
Sequence:
MQPILLLLAFLLLPRADAGEIIGGHEAKPHSRPYMAYLMIWDQKSLKRCGGFLIRDDFVLTAAHCWGSSINVTLGAHNIKEQEPTQQFIPVKRPIPHPAYNPKNFSNDIMLLQLERKAKRTRAVQPLRLPSNKAQVKPGQTCSVAGWGQTAPLGKHSHTLQEVKMTVQEDRKCESDLRHYYDSTIELCVGDPEIKKTSFKGDSGGPLVCNKVAQGIVSYGRNNGMPPRACTKVSSFVHWIKKTMKRY
  
Inhibitor
Name:
BDBM50116258
Synonyms:
(S)-3-{2-[3-((2S,3S)-2-Acetylamino-3-methyl-pentanoylamino)-2-oxo-2H-pyridin-1-yl]-acetylamino}-4-oxo-butyric acid | CHEMBL69482
Type:
Small organic molecule
Emp. Form.:
C19H26N4O7
Mol. Mass.:
422.4323
SMILES:
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccn(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O
Structure:
Search PDB for entries with ligand similarity: