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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

NameCHEMBL3925641
Molecular formulaC31H31F4N5O2S
IUPAC name1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[2-[7-hydroxy-1'-(2-methylpropyl)-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight613.676
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP7.3
SynonymsBDBM245293
SCHEMBL16782798
US9428504, 31
Inchi KeyARYGIEUEXLAFQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H31F4N5O2S/c1-18(2)16-39-13-11-30(12-14-39)17-40(27-24(41)10-8-20(26(27)30)31(33,34)35)23-6-4-3-5-21(23)36-28(42)38-29-37-22-9-7-19(32)15-25(22)43-29/h3-10,15,18,41H,11-14,16-17H2,1-2H3,(H2,36,37,38,42)
PubChem CID118130618
ChEMBLCHEMBL3925641
IUPHARN/A
BindingDB245293
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
Ki16.4 nM, NoneBindingDB,ChEMBL

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