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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Adenosine receptor A3
Species	Rattus norvegicus (Rat)
Gene	Adora3
Synonym	A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1
Disease	N/A for non-human GPCRs
Length	320
Amino acid sequence	MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProt	P28647
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3360
IUPHAR	21
DrugBank	N/A

Ligand

Name	14114-46-6
Molecular formula	C10H10N4O2
IUPAC name	3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.0
Synonyms	Lopac0_000428 NCGC00015312-04 NSC242985 3,7-dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1h-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine, >=98% (HPLC), powder AKOS016001452 CHEMBL282038 EU-0100428 HMS3261E18 MFCD00078576 NCGC00093849-02 SR-01000075249 3,7-dimethyl-1-(prop-2-yn-1-yl)purine-2,6-dione 5YFR5SPS6T BCP26239 CTK8B7549 J-007467 NCGC00015312-02 NSC 242985 UNII-5YFR5SPS6T 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)- 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione AC1Q6LFB CCG-204520 DS-16284 FT-0614782 LP00428 NCGC00015312-05 SCHEMBL44805 3,7-Dimethyl-1-(2-propynyl)xanthine 3,7-Dimethyl-I-propargylxanthine ANW-57638 CJ-29818 HMS3370E07 MLS000862190 NCGC00093849-03 SR-01000075249-1 3,7-dimethyl-1-(prop-2-ynyl)-1H-purine-2,6(3H,7H)-dione 6856AA BDBM50008386 D-134 Lopac-D-134 NCGC00015312-03 NSC-242985 ZINC1764195 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-1H-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine AJ-31622 DTXSID30161577 HMS2231E22 LS-184216 NCGC00093849-01 SMR000326953 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione AX8083132 CS-W004425 IORPOFJLSIHJOG-UHFFFAOYSA-N NCGC00015312-01 NCGC00261113-01 Tox21_500428 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)- 3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione AC1L40ZE C-56140 DMPX [ Show all ]
Inchi Key	IORPOFJLSIHJOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
PubChem CID	99562
ChEMBL	CHEMBL282038
IUPHAR	N/A
BindingDB	50008386
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID24139167	ChEMBL

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