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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

NameCHEMBL3085531
Molecular formulaC13H18ClN5O8P2
IUPAC name[(1R,2R,4S,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular weight469.712
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.6
SynonymsBDBM50026893
Inchi KeyNDCFGYFBDZLTJB-LJYOZPSBSA-N
Inchi IDInChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8-,13+/m1/s1
PubChem CID76324375
ChEMBLCHEMBL3085531
IUPHARN/A
BindingDB50026893
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID12213051BindingDB,ChEMBL

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