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	Homo sapiens (Human)
Gene	PTGDR
Synonym	PGD2 receptor DP1 DP1 receptor PTGDR1 prostanoid DP receptor-like Prostanoid DP receptor prostaglandin D2 receptor (DP) PGD receptor [ Show all ]
Disease	Pain Dyslipidaemias Rhinitis Thromboembolism Thrombosis Atopic dermatitis Asthma Allergy Allergic rhinitis [ Show all ]
Length	359
Amino acid sequence	MKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
UniProt	Q13258
Protein Data Bank	N/A
GPCR-HGmod model	Q13258
3D structure model	This predicted structure model is from GPCR-EXP Q13258.
BioLiP	N/A
Therapeutic Target Database	T68782
ChEMBL	CHEMBL4427
IUPHAR	338
DrugBank	BE0000296

Ligand

Name	delta(12)-PGJ2
Molecular formula	C20H30O4
IUPAC name	(Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Molecular weight	334.456
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	NCGC00161301-02 11-oxo-15S-hydroxy-5Z,9Z,13E-prostatrienoic acid 9-Deoxy-delta-9,12-pgd2 CHEMBL519797 Delta-12 PGJ-2 HMS1791A06 Prosta-5,9,12-trien-1-oic acid, 15-hydroxy-11-oxo-, (5Z,12E,15S)- BML2-B02 D12-prostaglandin J2 delta-12-Prostaglandin J2 IDI1_033754 MolPort-027-640-982 SR-01000946874-1 (Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid 9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2 C05958 GTPL1876 NCGC00161301-03 13,14-dihydro-Delta(12)-prostaglandin J2 9-Deoxy-delta-9,12-prostaglandin D2 D0MS3D delta-12-PGJ2 HMS1989A06 LMFA03010020 SCHEMBL3368873 (5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid 87893-54-7 BRD-K83820346-001-02-5 Dddd-PGD2 Delta12-PGJ2 NCGC00161301-01 ZINC4096983 102839-03-2 9-Deoxy-delta(9,12)-13,14-dihydro PGD2 CHEBI:28130 delta(12)-Prostaglandin J2 HMS1361A06 Prosta-5,9,12,13-tetraen-1-oic acid, 15-hydroxy-11-oxo-, (5Z,15S)- 1703AH AC1NQXQ4 d12-PGJ2 delta-12-Prostaglandin D2 HMS3402A06 LS-178022 SR-01000946874 (Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid 9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2 BSPBio_001284 delta(12)-Pgj(2) delta12-PROSTAGLANDIN J2 [ Show all ]
Inchi Key	TUXFWOHFPFBNEJ-GJGHEGAFSA-N
Inchi ID	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
PubChem CID	5280885
ChEMBL	N/A
IUPHAR	1876
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	100.0 nM	PMID9579725	IUPHAR

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