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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	CHEMBL365696
Molecular formula	C28H26N2O5
IUPAC name	2-[2-methyl-1-[4-[[(2R)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid
Molecular weight	470.525
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50152510 SCHEMBL991638 {2-Methyl-1-[4-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-ylmethoxy)-benzoyl]-1H-indol-4-yl}-acetic acid
Inchi Key	XECAIYOLUPUKEJ-JOCHJYFZSA-N
Inchi ID	InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m1/s1
PubChem CID	10183680
ChEMBL	CHEMBL365696
IUPHAR	N/A
BindingDB	50152510
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	10.0 nM	PMID15341946	BindingDB,ChEMBL
Ki	170.0 nM	PMID15341946	BindingDB,ChEMBL

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