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	Prostaglandin D2 receptor
Species	Mus musculus (Mouse)
Gene	Ptgdr
Synonym	prostanoid DP receptor-like Prostanoid DP receptor prostaglandin D2 receptor (DP) PGD2 receptor PGD receptor DP1 receptor DP1 PTGDR1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MNESYRCQTSTWVERGSSATMGAVLFGAGLLGNLLALVLLARSGLGSCRPGPLHPPPSVFYVLVCGLTVTDLLGKCLISPMVLAAYAQNQSLKELLPASGNQLCETFAFLMSFFGLASTLQLLAMAVECWLSLGHPFFYQRHVTLRRGVLVAPVVAAFCLAFCALPFAGFGKFVQYCPGTWCFIQMIHKERSFSVIGFSVLYSSLMALLVLATVVCNLGAMYNLYDMHRRQRHYPHRCSRDRAQSGSDYRHGSLHPLEELDHFVLLALMTVLFTMCSLPLIYRAYYGAFKLENKAEGDSEDLQALRFLSVISIVDPWIFIIFRTSVFRMLFHKVFTRPLIYRNWSSHSQQSNVESTL
UniProt	P70263
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	CHEMBL3933
IUPHAR	338
DrugBank	N/A

Ligand

Name	CHEMBL1915857
Molecular formula	C26H24ClNO6
IUPAC name	2-[4-chloro-3-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid
Molecular weight	481.929
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.0
Synonyms	SCHEMBL732560 BDBM50357628
Inchi Key	OQOSBTADWVKSLN-LJQANCHMSA-N
Inchi ID	InChI=1S/C26H24ClNO6/c1-15-9-18(32-13-19-14-33-22-5-3-4-6-23(22)34-19)10-16(2)25(15)26(31)28-21-11-17(12-24(29)30)7-8-20(21)27/h3-11,19H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1
PubChem CID	57396336
ChEMBL	CHEMBL1915857
IUPHAR	N/A
BindingDB	50357628
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	4.3 nM	PMID21982795	BindingDB,ChEMBL

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