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GLASS

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GPCR

Name	Uracil nucleotide/cysteinyl leukotriene receptor
Species	Homo sapiens (Human)
Gene	GPR17
Synonym	GPR17 P2Y-like receptor G-protein coupled receptor 17 R12 UDP/CysLT receptor uracil nucleotide/cysteinyl leukotriene receptor [ Show all ]
Disease	N/A
Length	367
Amino acid sequence	MSKRSWWAGSRKPPREMLKLSGSDSSQSMNGLEVAPPGLITNFSLATAEQCGQETPLENMLFASFYLLDFILALVGNTLALWLFIRDHKSGTPANVFLMHLAVADLSCVLVLPTRLVYHFSGNHWPFGEIACRLTGFLFYLNMYASIYFLTCISADRFLAIVHPVKSLKLRRPLYAHLACAFLWVVVAVAMAPLLVSPQTVQTNHTVVCLQLYREKASHHALVSLAVAFTFPFITTVTCYLLIIRSLRQGLRVEKRLKTKAVRMIAIVLAIFLVCFVPYHVNRSVYVLHYRSHGASCATQRILALANRITSCLTSLNGALDPIMYFFVAEKFRHALCNLLCGKRLKGPPPSFEGKTNESSLSAKSEL
UniProt	Q13304
Protein Data Bank	N/A
GPCR-HGmod model	Q13304
3D structure model	This predicted structure model is from GPCR-EXP Q13304.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075162
IUPHAR	88
DrugBank	N/A

Ligand

Name	CHEMBL1097279
Molecular formula	C17H21Cl2F3N5O12P3S2-4
IUPAC name	[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate
Molecular weight	772.314
Hydrogen bond acceptor	21
Hydrogen bond donor	3
XlogP	-1.3
Synonyms	BDBM50318031 cangrelor(4-) 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine cangrelor tetra-anion CHEBI:90843 cangrelor tetraanion [ Show all ]
Inchi Key	PAEBIVWUMLRPSK-IDTAVKCVSA-J
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)/p-4/t8-,10-,11-,14-/m1/s1
PubChem CID	44310170
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50318031
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.7 nM	PMID20394377	BindingDB

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