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 A2b
Species	Mus musculus (Mouse)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHGCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDSATSNCTELGDGIANKSCCPVTCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFMVACKQLQRMELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHKIISRYVLCQAETKGGSGQAGAQSTLSLGL
UniProt	Q60614
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	CHEMBL2237
IUPHAR	20
DrugBank	N/A

Ligand

Name	851371-22-7
Molecular formula	C17H12N6O
IUPAC name	4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
Molecular weight	316.324
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	4''-(furan-2-yl)-N-(pyridin-3-yl)-4,5''-bipyrimidin-2''-amine Adenosine A2b receptor antagonists (inflammation), Almirall CTK2I4385 SCHEMBL5239713 4'-(Furan-2-yl)-N-(pyridin-3-yl)-[4,5'-bipyrimidin]-2'-amine AS-19599 GTPL5617 YRPIMMMBNUUYLG-UHFFFAOYSA-N 168SF9F04E LAS38096 4'-(2-Furyl)-N-(3-pyridinyl)-4,5'-bipyrimidin-2'-amine AJ-64550 D08ECB UNII-168SF9F04E (4'-FURAN-2-YL-[4,5']BIPYRIMIDINYL-2'-YL)-PYRIDIN-3-YL-AMINE 4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine BDBM50211685 Kinome_3729 ZINC13981593 4''-(2-furyl)-N-pyridin-3-yl-4,5''-bipyrimidin-2''-amine CHEMBL375293 MolPort-029-940-546 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine AKOS022179022 DTXSID90471104 Y1268 (4,5'-Bipyrimidin)-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- C17H12N6O LAS-38096 [4,5'-Bipyrimidin]-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- [ Show all ]
Inchi Key	YRPIMMMBNUUYLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
PubChem CID	11716665
ChEMBL	CHEMBL375293
IUPHAR	5617
BindingDB	50211685
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	349.0 nM	PMID17469811	BindingDB,ChEMBL
IC50	640.0 nM	PMID17469811	BindingDB,ChEMBL
Inhibition	5.0 %	PMID17469811	ChEMBL

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