Xanthine-inhibitor-4
pyrimidinedione inhibitor 2 in 3GOD Xanthine-inhibitor-4 in 2GBI
General
Type : Pyrimidine,Piperidine,Cyanide,Purine
Chemical_Nomenclature : 2-[[8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile
Canonical SMILES : CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N
InChI : InChI=1S\/C20H23N7O2\/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26\/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3\/t15-\/m1\/s1
InChIKey : XJNKUWDMCBZMTG-OAHLLOKOSA-N
Other name(s) : 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE,XIH,2gbi,AC1OCADU,SCHEMBL4667775,DB08743
MW : 393.45
Formula : C20H23N7O2
CAS_number :
PubChem : 6914643
UniChem : XJNKUWDMCBZMTG-OAHLLOKOSA-N
IUPHAR :
Wikipedia :
Target
Families : Xanthine-inhibitor-4 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture :
Protein : ratno-dpp4 || human-DPP4
References (2)
| Title : Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV - Zhang_2011_J.Med.Chem_54_510 |
| Author(s) : Zhang Z , Wallace MB , Feng J , Stafford JA , Skene RJ , Shi L , Lee B , Aertgeerts K , Jennings A , Xu R , Kassel DB , Kaldor SW , Navre M , Webb DR , Gwaltney SL |
| Ref : Journal of Medicinal Chemistry , 54 :510 , 2011 |
| Abstract : Zhang_2011_J.Med.Chem_54_510 |
| ESTHER : Zhang_2011_J.Med.Chem_54_510 |
| PubMedSearch : Zhang_2011_J.Med.Chem_54_510 |
| PubMedID: 21186796 |
| Gene_locus related to this paper: human-DPP4 |
| Title : Crystal structures of DPP-IV (CD26) from rat kidney exhibit flexible accommodation of peptidase-selective inhibitors - Longenecker_2006_Biochemistry_45_7474 |
| Author(s) : Longenecker KL , Stewart KD , Madar DJ , Jakob CG , Fry EH , Wilk S , Lin CW , Ballaron SJ , Stashko MA , Lubben TH , Yong H , Pireh D , Pei Z , Basha F , Wiedeman PE , von Geldern TW , Trevillyan JM , Stoll VS |
| Ref : Biochemistry , 45 :7474 , 2006 |
| Abstract : Longenecker_2006_Biochemistry_45_7474 |
| ESTHER : Longenecker_2006_Biochemistry_45_7474 |
| PubMedSearch : Longenecker_2006_Biochemistry_45_7474 |
| PubMedID: 16768443 |
| Gene_locus related to this paper: ratno-dpp4 |