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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

NameCHEMBL2172264
Molecular formulaC29H37N7O9
IUPAC name(4S)-4-[[5-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
Molecular weight627.655
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM50397193
SCHEMBL953032
Inchi KeyBATFERYXLOIMMT-UNMCSNQZSA-N
Inchi IDInChI=1S/C29H37N7O9/c1-2-44-29(43)34-15-13-33(14-16-34)28(42)20(10-11-25(38)39)31-27(41)21-17-24(36(32-21)19-7-4-3-5-8-19)45-18-23(37)35-12-6-9-22(35)26(30)40/h3-5,7-8,17,20,22H,2,6,9-16,18H2,1H3,(H2,30,40)(H,31,41)(H,38,39)/t20-,22-/m0/s1
PubChem CID44128387
ChEMBLCHEMBL2172264
IUPHARN/A
BindingDB50397193
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki283.0 nMPMID22984835BindingDB,ChEMBL

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