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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	CHEMBL1643772
Molecular formula	C22H23FN2O6S2
IUPAC name	2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight	494.552
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.1
Synonyms	(R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-2-(methylsulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid BDBM50333874
Inchi Key	BEMUNJONNGSREM-OAHLLOKOSA-N
Inchi ID	InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-9-20-19(12-22(26)27)18-11-17(32(2,28)29)8-10-21(18)25(20)13-15/h3-4,6-8,10-11,15H,5,9,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
PubChem CID	53326879
ChEMBL	CHEMBL1643772
IUPHAR	N/A
BindingDB	50333874
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<3235.0 nM	PMID21106375	BindingDB,ChEMBL

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