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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesMus musculus (Mouse)
GeneS1pr1
SynonymS1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
Lysophospholipid receptor B1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceMVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProtO08530
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1914262
IUPHAR275
DrugBankN/A

Ligand

NameCHEMBL3945798
Molecular formulaC23H27N3O3
IUPAC name[2-amino-6-[3-(3-methyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-yl]methanol
Molecular weight393.487
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM221926
SCHEMBL16594062
US9315492, 27
Inchi KeyLFUPXMIEVYXTOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O3/c1-14(2)28-20-7-6-17(10-15(20)3)21-25-22(29-26-21)18-4-5-19-12-23(24,13-27)9-8-16(19)11-18/h4-7,10-11,14,27H,8-9,12-13,24H2,1-3H3
PubChem CID117974352
ChEMBLCHEMBL3945798
IUPHARN/A
BindingDB221926
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5020.0 nM, NoneBindingDB,ChEMBL

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