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GLASS

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GPCR

Name	Uracil nucleotide/cysteinyl leukotriene receptor
Species	Mus musculus (Mouse)
Gene	Gpr17
Synonym	G-protein coupled receptor 17 GPR17 P2Y-like receptor R12 UDP/CysLT receptor uracil nucleotide/cysteinyl leukotriene receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	339
Amino acid sequence	MNGLEAALPSLTDNSSLAYSEQCGQETPLENMLFACFYLLDFILAFVGNALALWLFIWDHKSGTPANVFLMHLAVADLSCVLVLPTRLVYHFSGNHWPFGEIPCRLTGFLFYLNMYASIYFLTCISADRFLAIVHPVKSLKLRRPLYAHLACAFLWIVVAVAMAPLLVSPQTVQTNHTVVCLQLYREKASHHALASLAVAFTFPFITTVTCYLLIIRSLRQGPRIEKHLKNKAVRMIAMVLAIFLICFVPYHIHRSVYVLHYRGGGTSCAAQRALALGNRITSCLTSLNGALDPVMYFFVAEKFRHALCNLLCSKRLTGPPPSFEGKTNESSLSARSEL
UniProt	Q6NS65
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	88
DrugBank	N/A

Ligand

Name	Cangrelor
Molecular formula	C17H25Cl2F3N5O12P3S2
IUPAC name	[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Molecular weight	776.346
Hydrogen bond acceptor	21
Hydrogen bond donor	7
XlogP	-1.0
Synonyms	AR-C-69931MX Cangrelor [USAN:INN:BAN] DTXSID90167651 SCHEMBL6113860 ARL69931 CHEMBL334966 Kengreal [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid 163706-06-7 AKOS027326862 AN-37839 Cangrelor (AR-C69931) oryl)methyl)phosphonic acid 5'-Adenylicacid,N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-,anhydridewithP,P'-(dichloromethylene)bis[phosphonicacid](1:1) AR-C69931XX CHEBI:90841 FT-0771866 UNII-6AQ1Y404U7 (dichloro((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosph 6AQ1Y404U7 BDBM50118225 D03359 Kengreal (TN) [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid AM85616 AR-C 69931 Cangrelor (USAN/INN) DB06441 SB16788 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine ARL 69931MX GTPL1776 ZINC85537017 (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride AC-28809 AMMD00024 D09QBG kengrexal 5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic acid) [ Show all ]
Inchi Key	PAEBIVWUMLRPSK-IDTAVKCVSA-N
Inchi ID	InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
PubChem CID	9854012
ChEMBL	CHEMBL334966
IUPHAR	1776
BindingDB	50118225
DrugBank	DB06441
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.2 nM	PMID18974869	IUPHAR

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