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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

NameCHEMBL3905099
Molecular formulaC27H29NO5
IUPAC name4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]benzoic acid
Molecular weight447.531
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50195692
SCHEMBL706127
Inchi KeyFUGVFRBSJDQBGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29NO5/c1-19-24(32-2)16-23(17-25(19)33-3)26(29)28(15-7-10-20-8-5-4-6-9-20)18-21-11-13-22(14-12-21)27(30)31/h4-6,8-9,11-14,16-17H,7,10,15,18H2,1-3H3,(H,30,31)
PubChem CID66774140
ChEMBLCHEMBL3905099
IUPHARN/A
BindingDB50195692
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID27774128BindingDB,ChEMBL

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