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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

NameSCHEMBL1572821
Molecular formulaC35H45N5
IUPAC name6-tert-butyl-N-[2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]phenyl]-1H-benzimidazol-2-amine
Molecular weight535.78
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP9.2
SynonymsCHEMBL3942314
BDBM177956
US9120798, Comparator 1
Inchi KeyAONJWECSJOZDAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H45N5/c1-33(2,3)24-39-20-17-35(18-21-39)19-22-40(30-13-9-7-11-26(30)35)31-14-10-8-12-28(31)37-32-36-27-16-15-25(34(4,5)6)23-29(27)38-32/h7-16,23H,17-22,24H2,1-6H3,(H2,36,37,38)
PubChem CID59337700
ChEMBLCHEMBL3942314
IUPHARN/A
BindingDB177956
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
IC50258.8 nM, NoneBindingDB,ChEMBL

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