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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

NameCHEMBL1162205
Molecular formulaC24H24FN4O9P
IUPAC name[(2R,3aR,4R,6R,6aR)-2-benzyl-4-[4-[(4-fluorophenyl)carbamoylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular weight562.447
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP0.4
SynonymsBDBM50371592
Inchi KeyAIFAKXWKFFQSEN-MSEOUXRUSA-N
Inchi IDInChI=1S/C24H24FN4O9P/c25-15-6-8-16(9-7-15)26-23(30)27-18-10-11-29(24(31)28-18)22-21-20(17(36-22)13-35-39(32,33)34)37-19(38-21)12-14-4-2-1-3-5-14/h1-11,17,19-22H,12-13H2,(H2,32,33,34)(H2,26,27,28,30,31)/t17-,19-,20-,21-,22-/m1/s1
PubChem CID24801416
ChEMBLCHEMBL1162205
IUPHARN/A
BindingDB50371592
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5011170.0 nMPMID18232657BindingDB,ChEMBL

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