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	Putative P2Y purinoceptor 10
Species	Homo sapiens (Human)
Gene	P2RY10
Synonym	P2Y-like receptor P2RY10 purinergic receptor P2Y purinergic receptor P2Y, G-protein coupled 10 purinergic receptor P2Y10 P2Y10 [ Show all ]
Disease	N/A
Length	339
Amino acid sequence	MANLDKYTETFKMGSNSTSTAEIYCNVTNVKFQYSLYATTYILIFIPGLLANSAALWVLCRFISKKNKAIIFMINLSVADLAHVLSLPLRIYYYISHHWPFQRALCLLCFYLKYLNMYASICFLTCISLQRCFFLLKPFRARDWKRRYDVGISAAIWIVVGTACLPFPILRSTDLNNNKSCFADLGYKQMNAVALVGMITVAELAGFVIPVIIIAWCTWKTTISLRQPPMAFQGISERQKALRMVFMCAAVFFICFTPYHINFIFYTMVKETIISSCPVVRIALYFHPFCLCLASLCCLLDPILYYFMASEFRDQLSRHGSSVTRSRLMSKESGSSMIG
UniProt	O00398
Protein Data Bank	N/A
GPCR-HGmod model	O00398
3D structure model	This predicted structure model is from GPCR-EXP O00398.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3562166
IUPHAR	165
DrugBank	N/A

Ligand

Name	CHEMBL3577174
Molecular formula	C30H52NO10P
IUPAC name	(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[3-(2-pentadecoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight	617.717
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	3.7
Synonyms	BDBM50096360
Inchi Key	QFYAJDRMEAIBSH-SXOMAYOGSA-N
Inchi ID	InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-38-28-18-15-14-17-25(28)19-20-29(33)39-22-26(32)23-40-42(36,37)41-24-27(31)30(34)35/h14-15,17-18,26-27,32H,2-13,16,19-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,27+/m1/s1
PubChem CID	122177520
ChEMBL	CHEMBL3577174
IUPHAR	N/A
BindingDB	50096360
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2.6 nM	PMID25970039	BindingDB
EC50	2.63 nM	PMID25970039	ChEMBL
EC50	2.7 nM	PMID25970039	BindingDB,ChEMBL

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