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GPCR

NameP2Y purinoceptor 1
SpeciesHomo sapiens (Human)
GeneP2RY1
SynonymATP receptor
Purinergic receptor P2Y1
purinergic receptor P2Y
Purinergic receptor
platelet ADP receptor
[ Show all ]
DiseaseThrombosis
Length373
Amino acid sequenceMTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProtP47900
Protein Data Bank4xnv, 4xnw
GPCR-HGmod modelP47900
3D structure modelThis structure is from PDB ID 4xnv.
BioLiPBL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target DatabaseT67818
ChEMBLCHEMBL4315
IUPHAR323
DrugBankN/A

Ligand

NameCHEMBL3930814
Molecular formulaC35H50F3N5O2
IUPAC name1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]urea
Molecular weight629.813
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP7.5
SynonymsBDBM245286
SCHEMBL16782843
US9428504, 24
Inchi KeyAFKNLTZNIZLJLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H50F3N5O2/c1-32(2,3)21-41-17-13-24(14-18-41)39-31(45)40-26-9-7-8-10-27(26)43-23-34(15-19-42(20-16-34)22-33(4,5)6)29-25(35(36,37)38)11-12-28(44)30(29)43/h7-12,24,44H,13-23H2,1-6H3,(H2,39,40,45)
PubChem CID118130657
ChEMBLCHEMBL3930814
IUPHARN/A
BindingDB245286
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki14.8 nM, NoneBindingDB,ChEMBL

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