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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

NameMLS000080860
Molecular formulaC16H16O5S2
IUPAC name(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
Molecular weight352.419
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
Synonyms(Z)-3,4-dibesylbut-2-en-1-ol
BDBM36923
(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
cid_5389617
SMR000043655
[ Show all ]
Inchi KeyAIAKDUWZCKEZRU-WJDWOHSUSA-N
Inchi IDInChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
PubChem CID5389617
ChEMBLCHEMBL1465527
IUPHARN/A
BindingDB36923
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503072.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC503707.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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