Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 3
Ligand
BDBM85270
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
8e+3±n/a nM
Citation
 Agic, D; Hranjec, M; Jajcanin, N; Starcevic, K; Karminski-Zamola, G; Abramic, M Novel amidino-substituted benzimidazoles: synthesis of compounds and inhibition of dipeptidyl peptidase III. Bioorg Chem 35:153-69 (2007) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 3
Synonyms:
DPP3 | DPP3_HUMAN | Dipeptidyl arylamidase III | Dipeptidyl peptidase 3 | Dipeptidyl peptidase III | Dipeptidyl peptidase III (DPP III)
Type:
Enzyme
Mol. Mass.:
82565.94
Organism:
Homo sapiens (Human)
Description:
Q9NY33
Residue:
737
Sequence:
MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA
  
Inhibitor
Name:
BDBM85270
Synonyms:
2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazolyl)-cyclobutane hydrochoride, 7'
Type:
Small organic molecule
Emp. Form.:
C32H30N8O2
Mol. Mass.:
558.6319
SMILES:
C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccco1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccco1 |c:2,t:39,(19.09,-1.68,;19.48,-3.33,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.51,-6.12,;6.98,-7.59,;8.52,-7.59,;9,-6.12,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.76,-4.83,;-2.82,-6.27,;-1.32,-5.66,;7.76,.04,;8.91,1.07,;8.28,2.48,;6.75,2.32,;6.43,.81,)|
Structure:
Search PDB for entries with ligand similarity: