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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

NameCHEMBL600575
Molecular formulaC36H49N5O9
IUPAC name(4S)-4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)methoxy]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight695.814
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.0
Synonyms(4S)4-{[(4-{[1-(Ethoxycarbonyl)piperidin-4-yl]methoxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
BDBM50307604
Inchi KeyBTXXZXRTOKUQBZ-LJAQVGFWSA-N
Inchi IDInChI=1S/C36H49N5O9/c1-3-5-9-22-49-36(47)41-20-18-39(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)50-25-26-14-16-40(17-15-26)35(46)48-4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
PubChem CID45139408
ChEMBLCHEMBL600575
IUPHARN/A
BindingDB50307604
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.3 nMPMID20141147BindingDB,ChEMBL

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