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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

NameCHEMBL3325626
Molecular formulaC27H28N4O4
IUPAC name2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-4,5-dimethylindol-1-yl]acetic acid
Molecular weight472.545
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50100266
Inchi KeyBBSQELVBWDFXFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O4/c1-5-6-24(32)21-13-28-31(18(21)4)20-10-8-19(9-11-20)29-27(35)22-14-30(15-25(33)34)23-12-7-16(2)17(3)26(22)23/h7-14H,5-6,15H2,1-4H3,(H,29,35)(H,33,34)
PubChem CID118711065
ChEMBLCHEMBL3325626
IUPHARN/A
BindingDB50100266
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<30000.0 nMPMID25075638BindingDB,ChEMBL
IC50272.0 nMPMID25075638BindingDB,ChEMBL

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