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	CHEMBL361098
Molecular formula	C22H23NO5
IUPAC name	1-(4-butoxybenzoyl)-5-methoxy-2-methylindole-3-carboxylic acid
Molecular weight	381.428
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50150967 1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
Inchi Key	FFDFWESIOXOETM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23NO5/c1-4-5-12-28-16-8-6-15(7-9-16)21(24)23-14(2)20(22(25)26)18-13-17(27-3)10-11-19(18)23/h6-11,13H,4-5,12H2,1-3H3,(H,25,26)
PubChem CID	11406401
ChEMBL	CHEMBL361098
IUPHAR	N/A
BindingDB	50150967
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	4000.0 nM	PMID15357992	BindingDB,ChEMBL
Ki	940.0 nM	PMID15357992	BindingDB,ChEMBL

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