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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

NameCHEMBL255454
Molecular formulaC27H25ClN4O4
IUPAC name2-[4-[[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]carbamoylamino]phenyl]-2-methylpropanoic acid
Molecular weight504.971
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.7
SynonymsBDBM50373297
2-[4-(3-{2-[2-(2-Chloro-phenyl)-5-methyl-2H-pyrazol-3-yloxy]-phenyl}-ureido)-phenyl]-2-methyl-propionic acid
BIWUWZRQAXMURN-UHFFFAOYSA-N
SCHEMBL4915826
Inchi KeyBIWUWZRQAXMURN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25ClN4O4/c1-17-16-24(32(31-17)22-10-6-4-8-20(22)28)36-23-11-7-5-9-21(23)30-26(35)29-19-14-12-18(13-15-19)27(2,3)25(33)34/h4-16H,1-3H3,(H,33,34)(H2,29,30,35)
PubChem CID44448870
ChEMBLCHEMBL255454
IUPHARN/A
BindingDB50373297
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
Ki<10000.0 nMPMID18445527BindingDB,ChEMBL

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