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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

NameCHEMBL266646
Molecular formulaC61H38N6Na6O23S6
IUPAC namehexasodium;8-[[4-phenyl-3-[[3-[[3-[[2-phenyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1553.29
Hydrogen bond acceptor23
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyUFQDBQHBYBYCIN-UHFFFAOYSA-H
Inchi IDInChI=1S/C61H44N6O23S6.6Na/c68-57(66-49-27-37(17-19-43(49)33-9-3-1-4-10-33)59(70)64-47-21-23-51(93(79,80)81)45-29-41(91(73,74)75)31-53(55(45)47)95(85,86)87)35-13-7-15-39(25-35)62-61(72)63-40-16-8-14-36(26-40)58(69)67-50-28-38(18-20-44(50)34-11-5-2-6-12-34)60(71)65-48-22-24-52(94(82,83)84)46-30-42(92(76,77)78)32-54(56(46)48)96(88,89)90;;;;;;/h1-32H,(H,64,70)(H,65,71)(H,66,68)(H,67,69)(H2,62,63,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;/q;6*+1/p-6
PubChem CID16163319
ChEMBLCHEMBL266646
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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
Inhibition75.1 %PMID16250663ChEMBL

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