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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

NameSCHEMBL17077170
Molecular formulaC30H21F3N6O2S2
IUPAC name1-[2-[5-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
Molecular weight618.653
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP7.5
SynonymsUS9540323, 182
Inchi KeyAFKOJSSQMMFGLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H21F3N6O2S2/c1-30(2)13-39(25-20(40)12-15(32)23(24(25)30)27-34-18-11-14(31)7-9-21(18)42-27)19-6-4-3-5-16(19)35-28(41)38-29-36-17-8-10-22(33)37-26(17)43-29/h3-12,40H,13H2,1-2H3,(H2,35,36,38,41)
PubChem CID136970175
ChEMBLN/A
IUPHARN/A
BindingDB260981
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki15.7 nMN/ABindingDB
Ki16.0 nMN/ABindingDB

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