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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

NameSR-01000698447
Molecular formulaC23H24ClN3O3
IUPAC name[1-(4-ethylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Molecular weight425.913
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
Synonyms[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate
AC1MOPLP
MLS000334917
1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester
Z25456736
[ Show all ]
Inchi KeyCMESBGDQHPKECY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O3/c1-4-17-10-12-19(13-11-17)25-22(28)16(3)30-23(29)20-15(2)26-27(21(20)24)14-18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,25,28)
PubChem CID3324089
ChEMBLCHEMBL1384963
IUPHARN/A
BindingDB79461
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<50000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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