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GPCR

NameP2Y purinoceptor 12
SpeciesRattus norvegicus (Rat)
GeneP2ry12
Synonympurinergic receptor P2Y
P2YADP
P2Y12 receptor
P2Y12 platelet ADP receptor
P2Y12
[ Show all ]
DiseaseN/A for non-human GPCRs
Length343
Amino acid sequenceMEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProtQ9EPX4
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2188
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3325804
Molecular formulaC34H36ClN7O4
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight642.157
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50100194
SCHEMBL13506303
Inchi KeyBFYCPGWDAOWTSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)
PubChem CID66576530
ChEMBLCHEMBL3325804
IUPHARN/A
BindingDB50100194
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID25075638BindingDB,ChEMBL

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