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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

NameCHEMBL432821
Molecular formulaC30H46NO6P
IUPAC name[3-(4-phenylmethoxyphenyl)-2-(tetradecanoylamino)propyl] dihydrogen phosphate
Molecular weight547.673
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP7.5
SynonymsBDBM50146251
Phosphoric acid mono-[3-(4-benzyloxy-phenyl)-2-tetradecanoylamino-propyl] ester
Inchi KeyITYKKJICDXIRIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H46NO6P/c1-2-3-4-5-6-7-8-9-10-11-15-18-30(32)31-28(25-37-38(33,34)35)23-26-19-21-29(22-20-26)36-24-27-16-13-12-14-17-27/h12-14,16-17,19-22,28H,2-11,15,18,23-25H2,1H3,(H,31,32)(H2,33,34,35)
PubChem CID44325235
ChEMBLCHEMBL432821
IUPHARN/A
BindingDB50146251
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
IC509030.0 nMPMID15125924BindingDB,ChEMBL

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