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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

NameCHEMBL3098235
Molecular formulaC21H29N7O4S2
IUPAC name(1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2R)-2-(4-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol
Molecular weight507.628
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50445022
Inchi KeyMIKYSHFNQHAARM-IFMAEWBWSA-N
Inchi IDInChI=1S/C21H29N7O4S2/c1-3-6-33-21-24-19(23-12-7-11(12)18-10(2)22-9-34-18)15-20(25-21)28(27-26-15)13-8-14(32-5-4-29)17(31)16(13)30/h9,11-14,16-17,29-31H,3-8H2,1-2H3,(H,23,24,25)/t11-,12-,13-,14+,16+,17-/m1/s1
PubChem CID71607633
ChEMBLCHEMBL3098235
IUPHARN/A
BindingDB50445022
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
IC501810.0 nMPMID24332627BindingDB,ChEMBL

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