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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

NameCHEMBL3901297
Molecular formulaC38H37ClF3N5O3S
IUPAC name1-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight736.251
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP9.8
SynonymsBDBM245384
SCHEMBL16782868
US9428504, 134
Inchi KeyABKZQCZUEKILKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H37ClF3N5O3S/c1-36(2,3)21-46-18-16-37(17-19-46)22-47(33-30(48)14-13-26(32(33)37)34-44-28-20-23(39)8-15-31(28)51-34)29-7-5-4-6-27(29)45-35(49)43-24-9-11-25(12-10-24)50-38(40,41)42/h4-15,20,48H,16-19,21-22H2,1-3H3,(H2,43,45,49)
PubChem CID136992598
ChEMBLCHEMBL3901297
IUPHARN/A
BindingDB245384
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
Ki136.7 nM, NoneBindingDB,ChEMBL

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