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GPCR

NameUracil nucleotide/cysteinyl leukotriene receptor
SpeciesHomo sapiens (Human)
GeneGPR17
SynonymGPR17
P2Y-like receptor
G-protein coupled receptor 17
R12
UDP/CysLT receptor
[ Show all ]
DiseaseN/A
Length367
Amino acid sequenceMSKRSWWAGSRKPPREMLKLSGSDSSQSMNGLEVAPPGLITNFSLATAEQCGQETPLENMLFASFYLLDFILALVGNTLALWLFIRDHKSGTPANVFLMHLAVADLSCVLVLPTRLVYHFSGNHWPFGEIACRLTGFLFYLNMYASIYFLTCISADRFLAIVHPVKSLKLRRPLYAHLACAFLWVVVAVAMAPLLVSPQTVQTNHTVVCLQLYREKASHHALVSLAVAFTFPFITTVTCYLLIIRSLRQGLRVEKRLKTKAVRMIAIVLAIFLVCFVPYHVNRSVYVLHYRSHGASCATQRILALANRITSCLTSLNGALDPIMYFFVAEKFRHALCNLLCGKRLKGPPPSFEGKTNESSLSAKSEL
UniProtQ13304
Protein Data BankN/A
GPCR-HGmod modelQ13304
3D structure modelThis predicted structure model is from GPCR-EXP Q13304.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075162
IUPHAR88
DrugBankN/A

Ligand

NameCHEMBL1097279
Molecular formulaC17H21Cl2F3N5O12P3S2-4
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 weight772.314
Hydrogen bond acceptor21
Hydrogen bond donor3
XlogP-1.3
Synonymscangrelor(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 KeyPAEBIVWUMLRPSK-IDTAVKCVSA-J
Inchi IDInChI=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 CID44310170
ChEMBLN/A
IUPHARN/A
BindingDB50318031
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC500.7 nMPMID20394377BindingDB

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