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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

NameCHEMBL129841
Molecular formulaC11H17N5O9P2
IUPAC name[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight425.231
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-2.9
SynonymsCHEMBL1096400
MRS 2179 ammonium salt
diammonium (2R,3S,5R)-2-[(hydrogen phosphonatooxy)methyl]-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-yl hydrogen phosphate
ZINC3985980
BDBM50118229
[ Show all ]
Inchi KeyCCPLITQNIFLYQB-XLPZGREQSA-N
Inchi IDInChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
PubChem CID5311303
ChEMBLCHEMBL129841
IUPHARN/A
BindingDB50118229, 50318029
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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