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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

NameCHEMBL3325891
Molecular formulaC28H31ClN8O3
IUPAC nameN-[6-(4-butanoyl-5-methylpyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight563.059
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsN-[6-(4-Butyryl-5-methyl-1H-pyrazole-1-yl)pyridazine-3-yl]-5-chloro-1-[2-(4-methylpiperazine-1-yl)-2-oxoethyl]-1H-indole-3-carboxamide
SCHEMBL13505686
BDBM50100247
N-[6-(4-butanoyl-5-methyl-1h-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1h-indole-3-carboxamide
ZINC203553584
Inchi KeyBJGNAIOOAINEET-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40)
PubChem CID66575899
ChEMBLCHEMBL3325891
IUPHARN/A
BindingDB50100247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5060.0 nMPMID25075638BindingDB,ChEMBL

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