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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

NameSphingosine 1-phosphate
Molecular formulaC18H38NO5P
IUPAC name[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular weight379.478
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.9
Synonymssphingosine-1-phosphate
26993-30-6
D-erythro-Sphingosine-1-phosphate
C18-Sphingosine 1-phosphate
Sphing-4-enine 1-phosphate
[ Show all ]
Inchi KeyDUYSYHSSBDVJSM-KRWOKUGFSA-N
Inchi IDInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
PubChem CID5283560
ChEMBLCHEMBL225155
IUPHAR911
BindingDB50158348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.7 nMPMID20446681BindingDB
EC500.7 nMPMID20446681ChEMBL
EC501.3 nMPMID24900589ChEMBL
EC502.2 nMPMID15341948BindingDB,ChEMBL
EC502.88403 - 8.91251 nMPMID11705398, PMID17114004IUPHAR
EC502.9 nMPMID14505636BindingDB,ChEMBL
EC508.3 nMPMID15982878, PMID14505636BindingDB,ChEMBL
EC508.3 nMPMID15982878BindingDB
EC5043.9 nMPMID20446681ChEMBL
EC5044.0 nMPMID20446681BindingDB
Emax1.0 -PMID15982878ChEMBL
IC500.23 nMPMID15149705ChEMBL
IC500.23 nMPMID15149705BindingDB
IC500.35 nMPMID15615513BindingDB,ChEMBL
Kd20.4 - 27.0 nMPMID10446161, PMID9988698IUPHAR

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