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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

Name(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular formulaC12H22O4S2
IUPAC name(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular weight294.424
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.1
SynonymsZINC32219910
HMS2286C05
AKOS024274831
SMR000020833
CHEMBL1563483
[ Show all ]
Inchi KeyAWAPBXGSDGWNHK-OXAWKVHCSA-N
Inchi IDInChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
PubChem CID5286934
ChEMBLCHEMBL1563483
IUPHARN/A
BindingDB38993
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501964.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC504499.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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