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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

NameCHEMBL3758974
Molecular formulaC30H33FN2O7
IUPAC name4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]-2-methoxybenzoic acid
Molecular weight552.599
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50143198
SCHEMBL15911022
Inchi KeyAQQGFOMOSGPZED-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33FN2O7/c1-19(2)18-30(37)10-12-33(13-11-30)29(36)32-21-14-24(39-22-6-4-20(31)5-7-22)16-25(15-21)40-23-8-9-26(28(34)35)27(17-23)38-3/h4-9,14-17,19,37H,10-13,18H2,1-3H3,(H,32,36)(H,34,35)
PubChem CID90309119
ChEMBLCHEMBL3758974
IUPHARN/A
BindingDB50143198
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
IC5011.0 nMPMID26794040BindingDB,ChEMBL

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