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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

NameCID 44392848
Molecular formulaC35H54NO6P
IUPAC name[(3S)-1-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]-4-(4-phenylmethoxyphenyl)butyl]phosphonic acid
Molecular weight615.792
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP8.5
SynonymsN/A
Inchi KeyIDMZMUPFKUHHDG-IGTSUVQFSA-N
Inchi IDInChI=1S/C35H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(37)36-32(28-35(38)43(39,40)41)27-30-23-25-33(26-24-30)42-29-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32,35,38H,2-8,11-15,19,22,27-29H2,1H3,(H,36,37)(H2,39,40,41)/b10-9-/t32-,35?/m0/s1
PubChem CID44392848
ChEMBLCHEMBL181612
IUPHARN/A
BindingDBN/A
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
IC504230.0 nMPMID15225728ChEMBL

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