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GPCR

NameLysophosphatidic acid receptor 1
SpeciesHomo sapiens (Human)
GeneLPAR1
Synonymlysophosphatidic acid receptor Edg-2
Lpar1
LPA1 receptor
Lysophosphatidic acid receptor Edg-2 {ECO:0000303|PubMed:9070858}
LPA-1
[ Show all ]
DiseaseIdiopathic pulmonary fibrosis
Length364
Amino acid sequenceMAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProtQ92633
Protein Data Bank4z36, 4z35, 4z34
GPCR-HGmod modelQ92633
3D structure modelThis structure is from PDB ID 4z36.
BioLiPBL0315557, BL0315553, BL0315554, BL0315555, BL0315556, BL0315558
Therapeutic Target DatabaseT92640
ChEMBLCHEMBL3819
IUPHAR272
DrugBankN/A

Ligand

NameCHEMBL314553
Molecular formulaC39H60NO7P
IUPAC name[4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxypropyl]phenyl] 4-pentylbenzoate
Molecular weight685.883
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP11.1
SynonymsBDBM50146246
4-Pentyl-benzoic acid 4-[(S)-2-((Z)-octadec-9-enoylamino)-3-phosphonooxy-propyl]-phenyl ester
Inchi KeyFWOUHSOVALWFJO-QPZFHVBGSA-N
Inchi IDInChI=1S/C39H60NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-38(41)40-36(32-46-48(43,44)45)31-34-25-29-37(30-26-34)47-39(42)35-27-23-33(24-28-35)21-19-6-4-2/h12-13,23-30,36H,3-11,14-22,31-32H2,1-2H3,(H,40,41)(H2,43,44,45)/b13-12-/t36-/m0/s1
PubChem CID44325402
ChEMBLCHEMBL314553
IUPHARN/A
BindingDB50146246
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
IC50<10000.0 nMPMID15125924BindingDB,ChEMBL

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