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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

NameCHEMBL3900332
Molecular formulaC31H33F3N6OS
IUPAC name1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight594.701
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.2
SynonymsUS9120798, 6
BDBM177969
SCHEMBL16894539
Inchi KeyBEAXBJADFUQQRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33F3N6OS/c1-29(2,3)18-39-16-13-30(14-17-39)19-40(26-24(41)12-11-20(25(26)30)31(32,33)34)23-10-5-4-8-21(23)36-28-38-37-27(42-28)22-9-6-7-15-35-22/h4-12,15,41H,13-14,16-19H2,1-3H3,(H,36,38)
PubChem CID73053123
ChEMBLCHEMBL3900332
IUPHARN/A
BindingDB177969
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
IC5011.0 nM, NoneBindingDB,ChEMBL

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