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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

NameCHEMBL3964813
Molecular formulaC32H33ClN6O2S
IUPAC name1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-cyano-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight601.166
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP7.0
SynonymsBDBM245338
SCHEMBL16782878
US9428504, 83
Inchi KeyBCHAEGWYWNMUIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33ClN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41)
PubChem CID118130691
ChEMBLCHEMBL3964813
IUPHARN/A
BindingDB245338
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
Ki5.7 nM, NoneBindingDB,ChEMBL

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