Lilly-aryl-ketone
General
Type : Ketone
Chemical_Nomenclature : 4-[(3R)-3-[[2-(4-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide
Canonical SMILES : CC(CCC1=CC=C(C=C1)C(=O)N)NCC(=O)C2=CC=C(C=C2)F
InChI : InChI=1S\/C19H21FN2O2\/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15\/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)\/t13-\/m1\/s1
InChIKey : OIWWNWQZJJKBTR-CYBMUJFWSA-N
Other name(s) : U1N,4-[(3r)-3-{[2-(4-Fluorophenyl)-2-Oxoethyl]amino}butyl]benzamide,Aryl ketone deriv. 1,CHEMBL218289,BDBM15464,DB08672
MW : 328.38
Formula : C19H21FN2O2
CAS_number :
PubChem : 15991577
UniChem : OIWWNWQZJJKBTR-CYBMUJFWSA-N
IUPHAR :
Wikipedia :
Target
Families : Lilly-aryl-ketone ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2OGZ Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor
Protein : human-DPP4
References (1)
| Title : Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site - Sheehan_2007_Bioorg.Med.Chem.Lett_17_1765 |
| Author(s) : Sheehan SM , Mest HJ , Watson BM , Klimkowski VJ , Timm DE , Cauvin A , Parsons SH , Shi Q , Canada EJ , Wiley MR , Ruehter G , Evers B , Petersen S , Blaszczak LC , Pulley SR , Margolis BJ , Wishart GN , Renson B , Hankotius D , Mohr M , Zechel JC , Michael Kalbfleisch J , Dingess-Hammond EA , Boelke A , Weichert AG |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :1765 , 2007 |
| Abstract : Sheehan_2007_Bioorg.Med.Chem.Lett_17_1765 |
| ESTHER : Sheehan_2007_Bioorg.Med.Chem.Lett_17_1765 |
| PubMedSearch : Sheehan_2007_Bioorg.Med.Chem.Lett_17_1765 |
| PubMedID: 17239592 |
| Gene_locus related to this paper: human-DPP4 |