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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

NameSR-01000759123-1
Molecular formulaC22H22N2O3
IUPAC name4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
Molecular weight362.429
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.3
SynonymsMolPort-003-242-903
4-[2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethoxy]benzamide
BDBM41740
ZINC12796687
4-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethoxy]benzamide
[ Show all ]
Inchi KeyBVHONABPMWKGAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O3/c1-15-12-20(16(2)24(15)13-17-6-4-3-5-7-17)21(25)14-27-19-10-8-18(9-11-19)22(23)26/h3-12H,13-14H2,1-2H3,(H2,23,26)
PubChem CID16545473
ChEMBLCHEMBL1354296
IUPHARN/A
BindingDB41740
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<30000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
EC50<44000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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