BDPX
General
Type : Piperazine,Purine
Chemical_Nomenclature : 7-benzyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
Canonical SMILES : CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4
InChI : InChI=1S\/C18H22N6O2\/c1-21-15-14(16(25)22(2)18(21)26)24(12-13-6-4-3-5-7-13)17(20-15)23-10-8-19-9-11-23\/h3-7,19H,8-12H2,1-2H3
InChIKey : QFSMMXJBEBXTJP-UHFFFAOYSA-N
Other name(s) : 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione,BAS 01547268,CHEMBL235134,CHEBI:45565,7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
MW : 354.41
Formula : C18H22N6O2
CAS_number :
PubChem : 978607
UniChem : QFSMMXJBEBXTJP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : BDPX ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2AJ8 Porcine dipeptidyl peptidase IV (CD26) in complex with 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (BDPX)
Protein : pig-dpp4
References (1)
| Title : Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV - Engel_2006_J.Mol.Biol_355_768 |
| Author(s) : Engel M , Hoffmann T , Manhart S , Heiser U , Chambre S , Huber R , Demuth HU , Bode W |
| Ref : Journal of Molecular Biology , 355 :768 , 2006 |
| Abstract : Engel_2006_J.Mol.Biol_355_768 |
| ESTHER : Engel_2006_J.Mol.Biol_355_768 |
| PubMedSearch : Engel_2006_J.Mol.Biol_355_768 |
| PubMedID: 16330047 |
| Gene_locus related to this paper: pig-dpp4 |