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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	CAY10471
Molecular formula	C21H21FN2O4S
IUPAC name	2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Molecular weight	416.467
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	2-[3-(N-methyl4-fluorobenzenesulfonamido)-2,3,4,9-tetrahydro-1H-carbazol-9-yl]acetic acid CHEMBL1643768 NCGC00344391-03 AKOS030530960 HMS3649N22 SR-01000946745 MolPort-009-019-006 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid D08KZJ SCHEMBL16558832 CAY 10471 KB-276015 SR-01000946745-1 NCGC00344391-02 844639-57-2 GTPL1905 SMR004701758 CAY-10471 MLS006010831 tm30089 [ Show all ]
Inchi Key	CANCTKXGRVNXFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
PubChem CID	11384493
ChEMBL	CHEMBL1643768
IUPHAR	1905
BindingDB	N/A
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	653.0 nM	PMID21106375	ChEMBL

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