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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

NameCHEMBL1784181
Molecular formulaC21H26ClN5O2
IUPAC name4-[3-chloro-5-(diethylcarbamoyl)pyridin-2-yl]-N-phenylpiperazine-1-carboxamide
Molecular weight415.922
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50345334
4-(3-chloro-5-(diethylcarbamoyl)pyridin-2-yl)-N-phenylpiperazine-1-carboxamide
Inchi KeyBQGYFJNJYSBKHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClN5O2/c1-3-25(4-2)20(28)16-14-18(22)19(23-15-16)26-10-12-27(13-11-26)21(29)24-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,29)
PubChem CID54585884
ChEMBLCHEMBL1784181
IUPHARN/A
BindingDB50345334
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<33000.0 nMPMID21507636BindingDB,ChEMBL

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