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GPCR

NameP2Y purinoceptor 13
SpeciesHomo sapiens (Human)
GeneP2RY13
SynonymP2Y13
G-protein coupled receptor 86
purinergic receptor P2Y, G-protein coupled 13
G-protein coupled receptor 94
GPR94
[ Show all ]
DiseaseN/A
Length354
Amino acid sequenceMTAAIRRQRELSILPKVTLEAMNTTVMQGFNRSERCPRDTRIVQLVFPALYTVVFLTGILLNTLALWVFVHIPSSSTFIIYLKNTLVADLIMTLMLPFKILSDSHLAPWQLRAFVCRFSSVIFYETMYVGIVLLGLIAFDRFLKIIRPLRNIFLKKPVFAKTVSIFIWFFLFFISLPNTILSNKEATPSSVKKCASLKGPLGLKWHQMVNNICQFIFWTVFILMLVFYVVIAKKVYDSYRKSKSKDRKNNKKLEGKVFVVVAVFFVCFAPFHFARVPYTHSQTNNKTDCRLQNQLFIAKETTLFLAATNICMDPLIYIFLCKKFTEKLPCMQGRKTTASSQENHSSQTDNITLG
UniProtQ9BPV8
Protein Data BankN/A
GPCR-HGmod modelQ9BPV8
3D structure modelThis predicted structure model is from GPCR-EXP Q9BPV8.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR329
DrugBankN/A

Ligand

NameCangrelor
Molecular formulaC17H25Cl2F3N5O12P3S2
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 weight776.346
Hydrogen bond acceptor21
Hydrogen bond donor7
XlogP-1.0
Synonyms163706-06-7
Kengreal
UNII-6AQ1Y404U7
AR-C69931XX
CHEMBL334966
[ Show all ]
Inchi KeyPAEBIVWUMLRPSK-IDTAVKCVSA-N
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)/t8-,10-,11-,14-/m1/s1
PubChem CID9854012
ChEMBLCHEMBL334966
IUPHAR1776
BindingDB50118225
DrugBankDB06441

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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

ParameterValueReferenceDatabase source
IC505.01187 nMPMID12815166IUPHAR

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