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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

NameCHEMBL590001
Molecular formulaC35H49N5O7
IUPAC name(4S)-4-[[4-[4-(2-methoxyethyl)piperidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight651.805
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
Synonyms(S)-4-(4-(4-(2-methoxyethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
BDBM50307001
Inchi KeyAAPYSFDTKKNFER-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H49N5O7/c1-3-4-8-22-47-35(45)40-20-18-39(19-21-40)34(44)29(11-12-32(41)42)37-33(43)31-25-28(24-30(36-31)27-9-6-5-7-10-27)38-16-13-26(14-17-38)15-23-46-2/h5-7,9-10,24-26,29H,3-4,8,11-23H2,1-2H3,(H,37,43)(H,41,42)/t29-/m0/s1
PubChem CID46232882
ChEMBLCHEMBL590001
IUPHARN/A
BindingDB50307001
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nMPMID20097563BindingDB,ChEMBL

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