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GPCR

NameSphingosine 1-phosphate receptor 4
SpeciesHomo sapiens (Human)
GeneS1PR4
SynonymS1P4 receptor
S1P4
S1P receptor Edg-6
S1P receptor 4
endothelial differentiation, G protein-coupled receptor 6
[ Show all ]
DiseaseN/A
Length384
Amino acid sequenceMNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProtO95977
Protein Data BankN/A
GPCR-HGmod modelO95977
3D structure modelThis predicted structure model is from GPCR-EXP O95977.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3230
IUPHAR278
DrugBankN/A

Ligand

NameMLS000390375
Molecular formulaC17H18Cl2N4O3
IUPAC name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
Molecular weight397.256
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsSMR000255342
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
AC1M9L9R
CHEMBL1374788
BDBM42061
[ Show all ]
Inchi KeyMRFCCGDBEJIXFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18Cl2N4O3/c1-3-11-6-4-5-7-13(11)21-14(24)9-22(2)15(25)10-23-17(26)16(19)12(18)8-20-23/h4-8H,3,9-10H2,1-2H3,(H,21,24)
PubChem CID2585250
ChEMBLCHEMBL1374788
IUPHARN/A
BindingDB42061
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502112.0 nMPubChem BioAssay data setChEMBL

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