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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

NameCHEMBL571929
Molecular formulaC32H44N6O6
IUPAC name(4S)-4-[[6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight608.74
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50302631
(S)-4-(6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBOUNEKAVTUBALA-VWLOTQADSA-N
Inchi IDInChI=1S/C32H44N6O6/c1-3-4-8-21-44-32(43)38-19-17-37(18-20-38)31(42)25(11-12-28(39)40)34-30(41)26-22-27(36-15-13-23(2)14-16-36)35-29(33-26)24-9-6-5-7-10-24/h5-7,9-10,22-23,25H,3-4,8,11-21H2,1-2H3,(H,34,41)(H,39,40)/t25-/m0/s1
PubChem CID45485913
ChEMBLCHEMBL571929
IUPHARN/A
BindingDB50302631
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19796941BindingDB,ChEMBL
Ki7.5 nMPMID19796941BindingDB,ChEMBL

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