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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-01000051804-2
Molecular formulaC19H19N3OS
IUPAC name1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone
Molecular weight337.441
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
Synonyms1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone
BDBM41741
SR-01000051804-1
1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone
cid_2100427
[ Show all ]
Inchi KeyAGKOKHVKNMPUPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3OS/c1-14-11-17(18(23)13-24-19-20-9-6-10-21-19)15(2)22(14)12-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3
PubChem CID2100427
ChEMBLCHEMBL1472755
IUPHARN/A
BindingDB41741
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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