Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase IV
Ligand
BDBM50178428
Substrate
n/a
Meas. Tech.
ChEBML_1717756
IC50
29000±n/a nM
Citation
 Rea, D; Van Elzen, R; De Winter, H; Van Goethem, S; Landuyt, B; Luyten, W; Schoofs, L; Van Der Veken, P; Augustyns, K; De Meester, I; Fülöp, V; Lambeir, AM Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 and structure-activity relationships based on inhibitor profiling. Eur J Med Chem 139:482-491 (2017) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase IV
Synonyms:
DPP | Dipeptidyl peptidase IV | IV
Type:
PROTEIN
Mol. Mass.:
82026.01
Organism:
Porphyromonas gingivalis
Description:
ChEMBL_117804
Residue:
723
Sequence:
MKRPVIILLLGIVTMCAMAQTGDKPVDLKEITSGMFYARSAGRGIRSMPDGEHYTEMNRERTAIVRYNYASGKAVDTLFSVERARECPFKQIQNYEVSSTGHHILLFTDMESIYRHSYRAAVYDYDVRRNLVKPLSEHVGKVMIPTFSPDGRMVAFVRDNNIFIKKFDFDTEVQVTTDGQINSILNGATDWVYEEEFGVTNLMSWSADNAFLAFVRSDESAVPEYRMPMYEDKIYPEDYTYKYPKAGEKNSTVSLHLYNVADRNTKSVSLPIDADGYIPRIAFTDNADELAVMTLNRLQNDFKMYYVHPKSLVAKLILQDMNKRYVDSDWIQALKFTAGGGFAYVSEKDGFAHIYLYDNKGVMHRRITSGNWDVTKLYGVDASGTVFYQSAEESPIRRAVYAIDAKGRKTKLSLNVGTNDALFSGNYAYYINTYSSAATPTVVSVFRSKDAKELRTLEDNVALRERLKAYRYNPKEFTIIKTQSGLELNAWIVKPIDFDPSRHYPVLMVQYSGPNSQQVLDRYSFDWEHYLASKGYVVACVDGRGTGARGEEWRKCTYMQLGVFESDDQIAAATAIGQLPYVDAARIGIWGWSYGGYTTLMSLCRGNGTFKAGIAVAPVADWRFYDSVYTERFMRTPKENASGYKMSSALDVASQLQGNLLIVSGSADDNVHLQNTMLFTEALVQANIPFDMAIYMDKNHSIYGGNTRYHLYIRKAKFLFDNL
  
Inhibitor
Name:
BDBM50178428
Synonyms:
(S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE | CHEMBL383705
Type:
Small organic molecule
Emp. Form.:
C9H18N2O
Mol. Mass.:
170.252
SMILES:
CC(C)[C@H](N)C(=O)N1CCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: