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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

NameCHEMBL3902849
Molecular formulaC31H29NO3
IUPAC name2-[4-[[(3-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
Molecular weight463.577
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50195607
SCHEMBL708435
Inchi KeyGZEZXYMPLXUASP-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29NO3/c1-23-9-7-13-27(21-23)30(33)32(20-8-12-24-10-3-2-4-11-24)22-25-16-18-26(19-17-25)28-14-5-6-15-29(28)31(34)35/h2-7,9-11,13-19,21H,8,12,20,22H2,1H3,(H,34,35)
PubChem CID23080067
ChEMBLCHEMBL3902849
IUPHARN/A
BindingDB50195607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501700.0 nMPMID27774128BindingDB,ChEMBL

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