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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

NameCHEMBL360064
Molecular formulaC32H51N2O5P
IUPAC name[(3S)-3-(hexadecanoylamino)-4-[4-(pyridin-2-ylmethoxy)phenyl]butyl]phosphonic acid
Molecular weight574.743
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP7.9
SynonymsBDBM50150004
{(S)-3-Hexadecanoylamino-4-[4-(pyridin-2-ylmethoxy)-phenyl]-butyl}-phosphonic acid
Inchi KeyDEJKWCWVWGRHDH-GDLZYMKVSA-N
Inchi IDInChI=1S/C32H51N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(35)34-29(23-25-40(36,37)38)26-28-19-21-31(22-20-28)39-27-30-17-15-16-24-33-30/h15-17,19-22,24,29H,2-14,18,23,25-27H2,1H3,(H,34,35)(H2,36,37,38)/t29-/m1/s1
PubChem CID44392834
ChEMBLCHEMBL360064
IUPHARN/A
BindingDB50150004
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
Ki1050.0 nMPMID15225728BindingDB,ChEMBL

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