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Target
Dipeptidyl peptidase IV
Ligand
BDBM11695
Substrate
n/a
Meas. Tech.
ChEMBL_1717763 (CHEMBL4132763)
Ki
17±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:
BDBM11695
Synonyms:
(2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile | CHEMBL142703 | NVP-LAF237
Type:
Small organic molecule
Emp. Form.:
C17H25N3O2
Mol. Mass.:
303.3993
SMILES:
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Structure:
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