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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

NameCHEMBL1784230
Molecular formulaC21H25ClN4O3
IUPAC nameethyl 5-chloro-6-[4-[(4-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular weight416.906
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsAEQOMJOKGSDYGH-UHFFFAOYSA-N
ZINC71280654
BDBM50345276
ethyl 5-chloro-6-(4-{[(4-methylbenzyl)amino]carbonyl}piperazin-1-yl)nicotinate
SCHEMBL3923520
Inchi KeyAEQOMJOKGSDYGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-12-18(22)19(23-14-17)25-8-10-26(11-9-25)21(28)24-13-16-6-4-15(2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,24,28)
PubChem CID24751710
ChEMBLCHEMBL1784230
IUPHARN/A
BindingDB50345276
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50460.0 nMPMID21507636BindingDB,ChEMBL
IC50970.0 nMPMID21507636BindingDB,ChEMBL

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