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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

NameCHEMBL91168
Molecular formulaC34H50NO6P
IUPAC name[2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate
Molecular weight599.749
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP8.0
SynonymsBDBM50146243
Phosphoric acid mono-[3-(4-benzyloxy-phenyl)-2-((9Z,12Z)-octadeca-9,12-dienoylamino)-propyl] ester
Inchi KeyLIVYNLRHJYRIKB-HZJYTTRNSA-N
Inchi IDInChI=1S/C34H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h6-7,9-10,16-18,20-21,23-26,32H,2-5,8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b7-6-,10-9-
PubChem CID44325312
ChEMBLCHEMBL91168
IUPHARN/A
BindingDB50146243
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
IC504250.0 nMPMID15125924BindingDB,ChEMBL

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