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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

NameCHEMBL91579
Molecular formulaC16H17N3O4
IUPAC name4-(1,3-dimethyl-2-oxoimidazo[4,5-b]quinolin-7-yl)oxybutanoic acid
Molecular weight315.329
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
Synonyms4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyric acid
BDBM50000895
4-[[(1,3-Dimethyl-2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin)-7-yl]oxy]butyric acid
Inchi KeyAZMMRGPSJADLIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17N3O4/c1-18-13-9-10-8-11(23-7-3-4-14(20)21)5-6-12(10)17-15(13)19(2)16(18)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,21)
PubChem CID15005570
ChEMBLCHEMBL91579
IUPHARN/A
BindingDB50000895
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID1321910BindingDB,ChEMBL
EC509410.0 nMPMID1321910BindingDB,ChEMBL

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