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Target
Dipeptidyl peptidase IV
Ligand
BDBM50243458
Substrate
n/a
Meas. Tech.
ChEBML_1717756
IC50
22000±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:
BDBM50243458
Synonyms:
(S)-benzyl 5-amino-6-oxo-6-(pyrrolidin-1-yl)hexylcarbamate | CHEMBL459642
Type:
Small organic molecule
Emp. Form.:
C18H27N3O3
Mol. Mass.:
333.4253
SMILES:
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Structure:
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