Zhang Lab

National University of Singapore

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 ●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	P2Y purinoceptor 2
Species	Mus musculus (Mouse)
Gene	P2ry2
Synonym	Purinergic receptor P2Y2 receptor P2Y2 P2Y purinoceptor 2 ATP receptor P2Y ATP receptor 2 P2U1 P2U purinoceptor 1 purinergic receptor P2Y [ Show all ]
Disease	N/A for non-human GPCRs
Length	373
Amino acid sequence	MAADLEPWNSTINGTWEGDELGYKCRFNEDFKYVLLPVSYGVVCVLGLCLNVVALYIFLCRLKTWNASTTYMFHLAVSDSLYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLHSLRWGRARYARRVAAVVWVLVLACQAPVLYFVTTSVRGTRITCHDTSARELFSHFVAYSSVMLGLLFAVPFSVILVCYVLMARRLLKPAYGTTGGLPRAKRKSVRTIALVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKITRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTEPTPSPQARRKLGLHRPNRTVRKDLSVSSDDSRRTESTPAGSETKDIRL
UniProt	P35383
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	CHEMBL1075298
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL271689
Molecular formula	C22H15N2O6S-
IUPAC name	4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
Molecular weight	435.43
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50371700
Inchi Key	VRZCMDBDQUYYIB-UHFFFAOYSA-M
Inchi ID	InChI=1S/C22H16N2O6S/c1-11(25)12-6-8-13(9-7-12)24-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27/h2-10,24H,23H2,1H3,(H,28,29,30)/p-1
PubChem CID	91930081
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50371700
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	<100000.0 nM	PMID18006312	BindingDB

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