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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

NameCHEMBL568334
Molecular formulaC30H31N5O4S
IUPAC name(2S,4S)-1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
Molecular weight557.669
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50302452
(2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
Inchi KeyBUKQVIJBXGVITH-DHLKQENFSA-N
Inchi IDInChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
PubChem CID44610759
ChEMBLCHEMBL568334
IUPHARN/A
BindingDB50302452
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.0 nMPMID19748783BindingDB,ChEMBL
Ki31.0 nMPMID19748783BindingDB,ChEMBL

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