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	25492-69-7
Molecular formula	C21H15N2NaO5S
IUPAC name	sodium;1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight	430.41
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	None
Synonyms	2-Anthracenesulfonic acid,1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, sodium salt (1:1) EINECS 247-029-7 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methylphenyl)amino)-9,10 dioxo-, monosodium salt ACM25492697 Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonate 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, monosodium salt CTK4F5917 sodium 1-amino-4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate 1-Amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid sodium salt 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-, monosodium salt 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, sodium salt (1:1) DTXSID3067102 1007599-99-6 AC1Q1VGW Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulfonate 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-, sodium salt (1:1) CHEMBL404450 [ Show all ]
Inchi Key	RHIIBCBXFYNAOU-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H16N2O5S.Na/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1
PubChem CID	23686655
ChEMBL	CHEMBL404450
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
IC50	27000.0 nM	PMID18006312	ChEMBL

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