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GPCR

NameLysophosphatidic acid receptor 3
SpeciesHomo sapiens (Human)
GeneLPAR3
SynonymLPA-3
Edg7
endothelial differentiation gene 7, lysophosphatidic acid G-protein-coupled receptor 7
LPA receptor 3
Lysophosphatidic acid receptor Edg-7
[ Show all ]
DiseaseFibrosis
Length353
Amino acid sequenceMNECHYDKHMDFFYNRSNTDTVDDWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVIKNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPVSKTLTVNRWFLRQGLLDSSLTASLTNLLVIAVERHMSIMRMRVHSNLTKKRVTLLILLVWAIAIFMGAVPTLGWNCLCNISACSSLAPIYSRSYLVFWTVSNLMAFLIMVVVYLRIYVYVKRKTNVLSPHTSGSISRRRTPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCRQCGVQHVKRWFLLLALLNSVVNPIIYSYKDEDMYGTMKKMICCFSQENPERRPSRIPSTVLSRSDTGSQYIEDSISQGAVCNKSTS
UniProtQ9UBY5
Protein Data BankN/A
GPCR-HGmod modelQ9UBY5
3D structure modelThis predicted structure model is from GPCR-EXP Q9UBY5.
BioLiPN/A
Therapeutic Target DatabaseT95923
ChEMBLCHEMBL3250
IUPHAR274
DrugBankN/A

Ligand

NameCHEMBL360399
Molecular formulaC33H51N2O6P
IUPAC name[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propyl] dihydrogen phosphate
Molecular weight602.753
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP7.7
SynonymsBDBM50149995
Phosphoric acid mono-{(R)-2-((Z)-octadec-9-enoylamino)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-propyl} ester
Inchi KeyJKKRVAXVBXZCTF-HWNQJZBBSA-N
Inchi IDInChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(36)35-31(28-41-42(37,38)39)26-29-18-20-32(21-19-29)40-27-30-22-24-34-25-23-30/h9-10,18-25,31H,2-8,11-17,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
PubChem CID44392769
ChEMBLCHEMBL360399
IUPHARN/A
BindingDB50149995
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
Ki2075.0 nMPMID15225728BindingDB,ChEMBL

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