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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL81757
Molecular formula	C27H33NO4S
IUPAC name	(Z)-7-[(1S,2R,3R,4R)-3-[(4-phenylphenyl)methylsulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight	467.624
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.2
Synonyms	(+) 7-[3-(Biphenyl-4-ylmethanesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid BDBM50128719
Inchi Key	APJPFVXOKVQGFK-RHMQENHLSA-N
Inchi ID	InChI=1S/C27H33NO4S/c29-26(30)11-7-2-1-6-10-25-23-16-17-24(18-23)27(25)28-33(31,32)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-6,8-9,12-15,23-25,27-28H,2,7,10-11,16-19H2,(H,29,30)/b6-1-/t23-,24+,25+,27+/m0/s1
PubChem CID	11037976
ChEMBL	CHEMBL81757
IUPHAR	N/A
BindingDB	50128719
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID12773047	BindingDB,ChEMBL
IC50	8600.0 nM	PMID12773047	BindingDB,ChEMBL

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