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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

NameSMR000023524
Molecular formulaC17H26N2O2
IUPAC nameN,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
Molecular weight290.407
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
SynonymsAKOS001800287
HMS1496J17
N,N-dicyclohexyl-5-methyl-isoxazole-3-carboxamide
MCULE-4482829629
SR-01000105088
[ Show all ]
Inchi KeyACAPZKCRDPYIJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H26N2O2/c1-13-12-16(18-21-13)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
PubChem CID3245758
ChEMBLCHEMBL1369793
IUPHARN/A
BindingDB37337
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506595.0 nMPMID24135724ChEMBL
EC5025600.0 nMN/ABindingDB

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