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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

NameCHEMBL385555
Molecular formulaC47H28N4Na6O21S6
IUPAC namehexasodium;8-[[4-phenyl-3-[[2-phenyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1315.05
Hydrogen bond acceptor21
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyGPYMLTPRVWWLIJ-UHFFFAOYSA-H
Inchi IDInChI=1S/C47H34N4O21S6.6Na/c52-45(48-35-15-17-39(75(61,62)63)33-21-29(73(55,56)57)23-41(43(33)35)77(67,68)69)27-11-13-31(25-7-3-1-4-8-25)37(19-27)50-47(54)51-38-20-28(12-14-32(38)26-9-5-2-6-10-26)46(53)49-36-16-18-40(76(64,65)66)34-22-30(74(58,59)60)24-42(44(34)36)78(70,71)72;;;;;;/h1-24H,(H,48,52)(H,49,53)(H2,50,51,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;;;/q;6*+1/p-6
PubChem CID13660946
ChEMBLCHEMBL385555
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition34.2 %PMID16250663ChEMBL

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