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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

NameCHEMBL590069
Molecular formulaC37H52N6O8
IUPAC name(4S)-4-[[4-[(3R)-3-[2-(diethylamino)-2-oxoethoxy]pyrrolidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight708.857
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50306949
(S)-4-(4-((R)-3-(2-(diethylamino)-2-oxoethoxy)pyrrolidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBGINHWJOXRVALY-IHLOFXLRSA-N
Inchi IDInChI=1S/C37H52N6O8/c1-4-7-11-22-50-37(49)42-20-18-41(19-21-42)36(48)30(14-15-34(45)46)39-35(47)32-24-28(23-31(38-32)27-12-9-8-10-13-27)43-17-16-29(25-43)51-26-33(44)40(5-2)6-3/h8-10,12-13,23-24,29-30H,4-7,11,14-22,25-26H2,1-3H3,(H,39,47)(H,45,46)/t29-,30+/m1/s1
PubChem CID46232935
ChEMBLCHEMBL590069
IUPHARN/A
BindingDB50306949
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.5 nMPMID20097563BindingDB,ChEMBL

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