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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

NameCHEMBL89660
Molecular formulaC18H20N4O4
IUPAC name7-(4-morpholin-4-yl-4-oxobutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
Molecular weight356.382
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.6
Synonyms1,3-Dihydro-7-[4-oxo-4-morpholinobutoxy]-2H-imidazo[4,5-b]quinolin-2-one
BDBM50000906
7-(4-Morpholin-4-yl-4-oxo-butoxy)-1,3-dihydro-imidazo[4,5-b]quinolin-2-one
Inchi KeyAXOWWPSGJNHDFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N4O4/c23-16(22-5-8-25-9-6-22)2-1-7-26-13-3-4-14-12(10-13)11-15-17(19-14)21-18(24)20-15/h3-4,10-11H,1-2,5-9H2,(H2,19,20,21,24)
PubChem CID14281000
ChEMBLCHEMBL89660
IUPHARN/A
BindingDB50000906
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50280.0 nMPMID1321910BindingDB,ChEMBL

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