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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

NameCHEMBL599606
Molecular formulaC31H33N3O6
IUPAC name(4S)-4-[(3,5-diphenylbenzoyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
Molecular weight543.62
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
Synonyms(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-[(1,1'':3'',1''''-terphenyl-5''-ylcarbonyl)mino]pentanoic Acid
BDBM50307625
Inchi KeyAOZJDOHXGPKBLN-MHZLTWQESA-N
Inchi IDInChI=1S/C31H33N3O6/c1-2-40-31(39)34-17-15-33(16-18-34)30(38)27(13-14-28(35)36)32-29(37)26-20-24(22-9-5-3-6-10-22)19-25(21-26)23-11-7-4-8-12-23/h3-12,19-21,27H,2,13-18H2,1H3,(H,32,37)(H,35,36)/t27-/m0/s1
PubChem CID46233322
ChEMBLCHEMBL599606
IUPHARN/A
BindingDB50307625
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki373.0 nMPMID20141147BindingDB,ChEMBL

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