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	Homo sapiens (Human)
Gene	P2RY2
Synonym	Purinergic receptor purinergic receptor P2Y P2Y2 receptor P2Y2 P2Y purinoceptor 2 P2Y ATP receptor 2 P2U1 P2U receptor 1 P2U purinoceptor 1 ATP receptor [ Show all ]
Disease	Dry eye disease Constipation Cystic fibrosis Lung cancer
Length	377
Amino acid sequence	MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProt	P41231
Protein Data Bank	N/A
GPCR-HGmod model	P41231
3D structure model	This predicted structure model is from GPCR-EXP P41231.
BioLiP	N/A
Therapeutic Target Database	T93515
ChEMBL	CHEMBL4398
IUPHAR	324
DrugBank	BE0002401

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	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 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 1-Amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid sodium salt sodium 1-amino-4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate 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 [ 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	24900.0 nM	PMID18006312	ChEMBL

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