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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

NameCHEMBL3797365
Molecular formulaC26H34N4O6
IUPAC nameN-[(2S)-3-[2-ethyl-4-[5-[4-methoxy-6-(2-methylpropyl)pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight498.58
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.2
SynonymsSCHEMBL3403248
BDBM50164813
Inchi KeyAFNUABBHQNAIDY-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-20(32)12-27-23(33)13-31)25-29-26(36-30-25)22-11-21(34-5)10-19(28-22)7-15(2)3/h8-11,15,20,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t20-/m0/s1
PubChem CID44217997
ChEMBLCHEMBL3797365
IUPHARN/A
BindingDB50164813
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501400.0 nMPMID27027817BindingDB,ChEMBL

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