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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

NameCHEMBL64383
Molecular formulaC22H30N2O4
IUPAC name7-[2-(azepan-1-yl)ethoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
Molecular weight386.492
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.1
Synonyms7-(2-Azepan-1-yl-ethoxy)-8-methyl-2-morpholin-4-yl-chromen-4-one
2-Morpholino-7-[[2-(1-azacycloheptan-1-yl)ethyl]oxy]-8-methyl-4H-1-benzopyran-4-one
BDBM50044204
SCHEMBL9533901
Inchi KeyBDASRWPCTUFLKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O4/c1-17-20(27-15-10-23-8-4-2-3-5-9-23)7-6-18-19(25)16-21(28-22(17)18)24-11-13-26-14-12-24/h6-7,16H,2-5,8-15H2,1H3
PubChem CID15650875
ChEMBLCHEMBL64383
IUPHARN/A
BindingDB50044204
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503000.0 nMPMID8336341BindingDB,ChEMBL

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