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GPCR

NameSphingosine 1-phosphate receptor 2
SpeciesHomo sapiens (Human)
GeneS1PR2
SynonymEndothelial differentiation G-protein coupled receptor 5
Sphingosine 1-phosphate receptor Edg-5
S1P2 receptor
S1P2
S1P receptor Edg-5
[ Show all ]
DiseaseHypertension
Length353
Amino acid sequenceMGSLYSEYLNPNKVQEHYNYTKETLETQETTSRQVASAFIVILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGSVTLRLTPVQWFAREGSAFITLSASVFSLLAIAIERHVAIAKVKLYGSDKSCRMLLLIGASWLISLVLGGLPILGWNCLGHLEACSTVLPLYAKHYVLCVVTIFSIILLAIVALYVRIYCVVRSSHADMAAPQTLALLKTVTIVLGVFIVCWLPAFSILLLDYACPVHSCPILYKAHYFFAVSTLNSLLNPVIYTWRSRDLRREVLRPLQCWRPGVGVQGRRRGGTPGHHLLPLRSSSSLERGMHMPTSPTFLEGNTVV
UniProtO95136
Protein Data BankN/A
GPCR-HGmod modelO95136
3D structure modelThis predicted structure model is from GPCR-EXP O95136.
BioLiPN/A
Therapeutic Target DatabaseT47888
ChEMBLCHEMBL2955
IUPHAR276
DrugBankN/A

Ligand

NameCHEMBL3618193
Molecular formulaC19H17F5N2O2
IUPAC name4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight400.349
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50120576
SCHEMBL5911874
Inchi KeyCXVIYEZWFVXTER-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17F5N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
PubChem CID23071955
ChEMBLCHEMBL3618193
IUPHARN/A
BindingDB50120576
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509500.0 nMPMID26384288BindingDB,ChEMBL

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