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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL81746
Molecular formula	C22H31NO3S
IUPAC name	(E)-7-[(1R,2R,3S,5S)-6,6-dimethyl-2-[methyl(thiophene-3-carbonyl)amino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight	389.554
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	7-{6,6-Dimethyl-2-[methyl-(thiophene-3-carbonyl)-amino]-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid BDBM50128761
Inchi Key	APXAGSBZYQBFHZ-VGWCBABISA-N
Inchi ID	InChI=1S/C22H31NO3S/c1-22(2)17-12-15(8-6-4-5-7-9-19(24)25)20(18(22)13-17)23(3)21(26)16-10-11-27-14-16/h4,6,10-11,14-15,17-18,20H,5,7-9,12-13H2,1-3H3,(H,24,25)/b6-4+/t15-,17-,18-,20+/m0/s1
PubChem CID	44461054
ChEMBL	CHEMBL81746
IUPHAR	N/A
BindingDB	50128761
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	<1000.0 nM	PMID12773048	BindingDB,ChEMBL
IC50	<10000.0 nM	PMID12773048	BindingDB,ChEMBL

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