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GPCR

NameP2Y purinoceptor 12
SpeciesHomo sapiens (Human)
GeneP2RY12
SynonymP2Y12 platelet ADP receptor
P2Y12 receptor
P2YADP
purinergic receptor P2Y
P2Y12
[ Show all ]
DiseaseN/A
Length342
Amino acid sequenceMQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProtQ9H244
Protein Data Bank4py0, 4pxz, 4ntj
GPCR-HGmod modelQ9H244
3D structure modelThis structure is from PDB ID 4py0.
BioLiPBL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2001
IUPHAR328
DrugBankBE0000110

Ligand

NameCHEMBL1162186
Molecular formulaC26H33N5O24P4
IUPAC name[(2S,3S,4S,5S)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] 2-(methylamino)benzoate
Molecular weight923.456
Hydrogen bond acceptor25
Hydrogen bond donor10
XlogP-6.3
SynonymsBDBM50371608
Inchi KeyGZTTUCCJJYTHHY-ASTUSSDSSA-N
Inchi IDInChI=1S/C26H33N5O24P4/c1-27-13-5-3-2-4-12(13)24(37)52-21-19(35)15(51-23(21)31-9-7-17(33)29-26(31)39)11-49-57(42,43)54-59(46,47)55-58(44,45)53-56(40,41)48-10-14-18(34)20(36)22(50-14)30-8-6-16(32)28-25(30)38/h2-9,14-15,18-23,27,34-36H,10-11H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,28,32,38)(H,29,33,39)/t14-,15+,18-,19+,20-,21+,22-,23+/m1/s1
PubChem CID44457361
ChEMBLCHEMBL1162186
IUPHARN/A
BindingDB50371608
DrugBankN/A

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
Inhibition46.0 %PMID18232657ChEMBL

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