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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

NameCHEMBL3926419
Molecular formulaC34H36F3N5O3S
IUPAC namemethyl 1'-(2,2-dimethylpropyl)-7-hydroxy-1-[2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-4-carboxylate
Molecular weight651.749
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP8.1
SynonymsBDBM177996
SCHEMBL15606093
US9120798, 43
Inchi KeyBBRHNLAJKXHCMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36F3N5O3S/c1-32(2,3)19-41-17-15-33(16-18-41)20-42(28-26(43)14-13-23(27(28)33)30(44)45-4)25-8-6-5-7-24(25)38-31-40-39-29(46-31)21-9-11-22(12-10-21)34(35,36)37/h5-14,43H,15-20H2,1-4H3,(H,38,40)
PubChem CID90070489
ChEMBLCHEMBL3926419
IUPHARN/A
BindingDB177996
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC508.0 nM, NoneBindingDB,ChEMBL

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