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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

NameCHEMBL2011712
Molecular formulaC19H20N4OS
IUPAC nameN-butyl-2-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
Molecular weight352.456
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50419942
Inchi KeyACERZXQPHJZKLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4OS/c1-3-4-12-23(18(24)16-10-6-5-8-14(16)2)19-22-21-17(25-19)15-9-7-11-20-13-15/h5-11,13H,3-4,12H2,1-2H3
PubChem CID70693631
ChEMBLCHEMBL2011712
IUPHARN/A
BindingDB50419942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID22386243BindingDB,ChEMBL

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