Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	1,3-Dipropyl-7-methylxanthine
Molecular formula	C12H18N4O2
IUPAC name	7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight	250.302
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.7
Synonyms	7-Methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AJ-36946 CCG-204509 FT-0606723 MFCD00055219 NCGC00093841-02 SR-01000075845-1 Tox21_500417 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-1,3-dipropyl- 7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione AX8000923 CHEMBL278332 HMS3373A22 NCGC00015305-02 PubChem9451 ZINC2516057 AC1L4PY2 C-15430 DTXSID60185448 Lopac0_000417 NCGC00015305-05 SMR001254091 7-methyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AKOS015914418 CD-783 HMS2232K22 MLS002172458 NCGC00093841-03 ST24033125 VZ20603 1H-Purine-2,6-dione,3,7-dihydro-7-methyl-1,3-dipropyl- 7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione BDBM50001500 CTK4G7325 J-018456 NCGC00015305-03 S-6485 542D639 AC1Q6LFY CC-03192 EU-0100417 LP00417 NCGC00093841-01 SR-01000075845 1,3-Dipropyl-7-methylxanthine, solid 7-methyl-1,3-dipropyl-3,7-dihydro-1h-purin-2,6-dion ANW-48715 HMS3261C16 NCGC00015305-01 NCGC00261102-01 TL8002419 W5353 31542-63-9 7-methyl-1,3-dipropylpurine-2,6-dione BR-23547 DB-048065 Lopac-D-108 NCGC00015305-04 SCHEMBL316911 [ Show all ]
Inchi Key	QVAYTZAGDQIWMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
PubChem CID	161713
ChEMBL	CHEMBL278332
IUPHAR	N/A
BindingDB	50001500
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
287523	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
287524	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
287527	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
287528	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
287529	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
287525	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
287526	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417