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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

NameCHEMBL3401379
Molecular formulaC30H34F2N2O4
IUPAC nameN-[3,5-bis(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
Molecular weight524.609
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50065607
Inchi KeyCLTJXNBVCMJRPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34F2N2O4/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-24-17-27(37-25-9-5-22(31)6-10-25)19-28(18-24)38-26-11-7-23(32)8-12-26/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)
PubChem CID118728428
ChEMBLCHEMBL3401379
IUPHARN/A
BindingDB50065607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50980.0 nMPMID25746814BindingDB,ChEMBL

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