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GLASS

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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	CHEMBL1641817
Molecular formula	C26H28FN3O3
IUPAC name	2-[(8R)-8-[[1-(4-fluorophenyl)cyclopentanecarbonyl]-methylamino]-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl]acetic acid
Molecular weight	449.526
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	{(8R)-8-[{[1-(4-fluorophenyl)cyclopentyl]carbonyl}(methyl)amino]-6,7,8,9-tetrahydro-pyrido[3,2-b]indolizin-5-yl}acetic acid BDBM50333491 (R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopentanecarboxamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid BLYMEBNUHVMONG-LJQANCHMSA-N SCHEMBL2214953
Inchi Key	BLYMEBNUHVMONG-LJQANCHMSA-N
Inchi ID	InChI=1S/C26H28FN3O3/c1-29(25(33)26(12-2-3-13-26)17-6-8-18(27)9-7-17)19-10-11-22-21(15-23(31)32)20-5-4-14-28-24(20)30(22)16-19/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,31,32)/t19-/m1/s1
PubChem CID	45110109
ChEMBL	CHEMBL1641817
IUPHAR	N/A
BindingDB	50333491
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	<4000.0 nM	PMID21185722	BindingDB,ChEMBL

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