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 2
Species	Homo sapiens (Human)
Gene	PTGDR2
Synonym	CD294 prostaglandin D2 receptor 2 PGD2 receptor Gpr44 G-protein coupled receptor 44 G protein-coupled receptor 44 DP2 receptor CRTH2 Chemoattractant receptor-homologous molecule expressed on Th2 cells [ Show all ]
Disease	Asthma; Chronic obstructive pulmonary disease Asthma Allergy Allergic rhinitis Allergic asthma Respiratory disease [ Show all ]
Length	395
Amino acid sequence	MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
UniProt	Q9Y5Y4
Protein Data Bank	6d27, 6d26
GPCR-HGmod model	Q9Y5Y4
3D structure model	This structure is from PDB ID 6d27.
BioLiP	BL0428440, BL0428439
Therapeutic Target Database	T61722
ChEMBL	CHEMBL5071
IUPHAR	339
DrugBank	BE0003561

Ligand

Name	prostaglandin D2
Molecular formula	C20H32O5
IUPAC name	(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
Molecular weight	352.471
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.6
Synonyms	BRN 2170623 DB02056 HMS3648M03 PGD2 (5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoic acid SR-01000946237 (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid (5Z,9-alpha,13E,15S)-9,15-dihydroxy-11-oxo-Prosta-5,13-dien-1-oic acid 5179-EP2280006A1 5179-EP2316824A1 AC1L9LZD CHEBI:15555 GTPL1891 LS-125822 (5z,13e)-(15s)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate ZINC85994848 (5Z,13E,15S)-9a,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate (5Z,9alpha,13E,15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic-acid 198163-EP2272825A2 5179-EP2281815A1 BHMBVRSPMRCCGG-OUTUXVNYSA-N D0H8QQ HMS1989K08 NCGC00161284-02 RXY07S6CZ2 (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid [3H]PGD2 (5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate 11-Dehydroprostaglandin F2-alpha 41598-07-6 5179-EP2305640A2 BSPBio_001486 E8965369-341A-46F4-8677-2CEB4F9432BA IDI1_033956 Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)- (5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoate SR-01000946237-1 (5Z,13E,15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxo-prosta-5,13-dien-1-oate 5179-EP2281563A1 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoate AKOS032954030 CHEMBL1235252 HMS1361K08 MFCD00077857 Prostaglandin D2, >=95%, synthetic (5z,13e)-(15s)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoic acid [3H]-PGD2 (5Z,13E,15S)-9a,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid 198163-EP2272827A1 5179-EP2295409A1 BML1-F05 HMS3402K08 NCGC00161284-03 (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID SCHEMBL2508829 (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate [3H]prostaglandin D2 (5Z,9-alpha,13E,15S)-9,15-dihydroxy-11-oxo-Prosta-5,13-dien-1-oate 11-Dehydroprostaglandin F2alpha 5179-EP2272832A1 5179-EP2316459A1 C00696 GTPL1881 LMFA03010004 prosta-glandin d2 (5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoic acid UNII-RXY07S6CZ2 (5Z,13E,15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoic acid (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxo-prosta-5,13-dien-1-oic acid 198163-EP2270004A1 5179-EP2281813A1 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid BDBM21544 D06KBO HMS1791K08 NCGC00161284-01 Prostaglandin D2, cell culture tested (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate [3H]11-dehydroprostaglandin F2-alpha (5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid 11-Dehydroprostaglandin F2 alpha 2004AH 5179-EP2301937A1 [ Show all ]
Inchi Key	BHMBVRSPMRCCGG-OUTUXVNYSA-N
Inchi ID	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
PubChem CID	448457
ChEMBL	N/A
IUPHAR	1881, 1891
BindingDB	N/A
DrugBank	DB02056
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Kd	6.0 - 16.0 nM	PMID12975488, PMID16418339	IUPHAR
Ki	2.51189 - 25.1189 nM	PMID12466225, PMID16256979	IUPHAR

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