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GPCR

NameSphingosine 1-phosphate receptor 3
SpeciesHomo sapiens (Human)
GeneS1PR3
SynonymSphingosine 1-phosphate receptor Edg-3
S1P3 receptor
S1P3
S1P receptor Edg-3
S1P receptor 3
[ Show all ]
DiseaseBreast cancer
Length378
Amino acid sequenceMATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProtQ99500
Protein Data BankN/A
GPCR-HGmod modelQ99500
3D structure modelThis predicted structure model is from GPCR-EXP Q99500.
BioLiPN/A
Therapeutic Target DatabaseT11241
ChEMBLCHEMBL3892
IUPHAR277
DrugBankN/A

Ligand

NameSCHEMBL1187087
Molecular formulaC27H35N5O5
IUPAC nameN-[(2S)-3-[2-ethyl-4-[5-(5-ethyl-6-pyrrolidin-1-ylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight509.607
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
SynonymsCHEMBL3126610
Inchi KeyASDGDYJTNXVUCK-QFIPXVFZSA-N
Inchi IDInChI=1S/C27H35N5O5/c1-4-18-11-20(10-17(3)24(18)36-16-22(34)14-28-23(35)15-33)25-30-27(37-31-25)21-12-19(5-2)26(29-13-21)32-8-6-7-9-32/h10-13,22,33-34H,4-9,14-16H2,1-3H3,(H,28,35)/t22-/m0/s1
PubChem CID44218903
ChEMBLCHEMBL3126610
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50176.0 nMPMID24367923ChEMBL

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