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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

NameCHEMBL3098234
Molecular formulaC21H27ClN6O4S2
IUPAC name(1S,2S,3R,5S)-3-[7-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular weight527.055
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50445023
Inchi KeyCULMUKSEFZTUGJ-FDIQVDDWSA-N
Inchi IDInChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1
PubChem CID71607589
ChEMBLCHEMBL3098234
IUPHARN/A
BindingDB50445023
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50160.0 nMPMID24332627BindingDB,ChEMBL

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