Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	102284-70-8
Molecular formula	C14H18N4O2
IUPAC name	1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione
Molecular weight	274.324
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.5
Synonyms	AX8237166 ZINC28758039 0PX75FMH1H CHEMBL25223 1,3-Dipropyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione AKOS016007982 SCHEMBL315866 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propynyl)- BDBM50025578 1,3-Dipropyl 7-propargylxanthine 7-(Prop-2-yn-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione CTK8C1541 1,3-N-Dipropyl-7-propargylxanthine ANW-66864 UNII-0PX75FMH1H 0595AA 3,7-Dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-1H-purine-2,6-dione 1,3-Dipropyl-7-(2-propynyl)xanthine AJ-83577 DTXSID70469842 [ Show all ]
Inchi Key	ZJNGTKZTSFZGPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h1,10H,5-9H2,2-3H3
PubChem CID	11637638
ChEMBL	CHEMBL25223
IUPHAR	N/A
BindingDB	50025578
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
430021	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
430022	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218