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GPCR

NameLysophosphatidic acid receptor 1
SpeciesRattus norvegicus (Rat)
GeneLpar1
SynonymLysophosphatidic acid receptor Edg-2
Lpar1
LPA1 receptor
LPA-1
LPA receptor 1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length364
Amino acid sequenceMAAASTSSPVISQPQFTAMNEQQCFYNESIAFFYNRSGKYLATEWNTVSKLVMGLGITVCVFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIDHCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIVCWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRNENPNGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProtP61794
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4595
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL246943
Molecular formulaC22H25ClN2O5S
IUPAC name3-[[4-[4-[1-(2-chlorocyclohexen-1-yl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight464.961
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL4024814
BDBM50211647
3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid
Inchi KeyRXDYETAEWGWCSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)
PubChem CID11305821
ChEMBLCHEMBL246943
IUPHARN/A
BindingDB50211647
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5056.0 nMPMID17467986BindingDB,ChEMBL

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