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 14
Species	Mus musculus (Mouse)
Gene	P2ry14
Synonym	G protein-coupled receptor 105 G-protein coupled receptor 105 GPR105 G protein coupled receptor for UDP-glucose P2Y purinoceptor 14 P2Y14 P2Y14 receptor purinergic receptor P2Y UDP-glucose receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	338
Amino acid sequence	MNNSTTTDPPNQPCSWNTLITKQIIPVLYGMVFITGLLLNGISGWIFFYVPSSKSFIIYLKNIVVADFLMGLTFPFKVLGDSGLGPWQVNVFVCRVSAVIFYVNMYVSIVFFGLISFDRYYKIVKPLLTSIVQSVNYSKLLSVLVWMLMLLLAVPNIILTNQGVKEVTKIQCMELKNELGRKWHKASNYIFVSIFWVVFLLLIVFYTAITRKIFKSHLKSRKNSTSVKRKSSRNIFSIVLVFVVCFVPYHIARIPYTKSQTEGHYSCRTKETLLYAKEFTLLLSAANVCLDPIIYFFLCQPFREVLNKKLHMSLKVQNDLEVSKTKRENAIHESTDTL
UniProt	Q9ESG6
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	CHEMBL1770046
IUPHAR	330
DrugBank	N/A

Ligand

Name	CHEMBL1774898
Molecular formula	C23H15F3O4S2
IUPAC name	4-(4-methylsulfonylthiophen-3-yl)-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Molecular weight	476.484
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.8
Synonyms	4-(4-(methylsulfonyl)thiophen-3-yl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid BDBM50343883
Inchi Key	FHMKKRBKVCSGEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H15F3O4S2/c1-32(29,30)21-12-31-11-20(21)19-10-16(22(27)28)9-15-8-14(4-7-18(15)19)13-2-5-17(6-3-13)23(24,25)26/h2-12H,1H3,(H,27,28)
PubChem CID	54583937
ChEMBL	CHEMBL1774898
IUPHAR	N/A
BindingDB	50343883
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	190.0 nM	PMID21507640	BindingDB,ChEMBL

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