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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

NameCHEMBL590364
Molecular formulaC30H39N5O7
IUPAC name(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-morpholin-4-yl-6-phenylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
Molecular weight581.67
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50307670
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-morpholin-4-yl-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
Inchi KeyBTPWGIJDXVOFJA-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H39N5O7/c1-2-3-17-42-30(40)35-13-11-34(12-14-35)29(39)24(9-10-27(36)37)32-28(38)26-21-23(33-15-18-41-19-16-33)20-25(31-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,32,38)(H,36,37)/t24-/m0/s1
PubChem CID45140930
ChEMBLCHEMBL590364
IUPHARN/A
BindingDB50307670
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.3 nMPMID20141147BindingDB,ChEMBL

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