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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

NameCHEMBL2011740
Molecular formulaC23H21F3N4OS
IUPAC nameN-butyl-N-[5-(1-methylindol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Molecular weight458.503
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50419966
Inchi KeyAUJUIOZTFOZLJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21F3N4OS/c1-3-4-13-30(21(31)15-8-10-16(11-9-15)23(24,25)26)22-28-27-20(32-22)18-6-5-7-19-17(18)12-14-29(19)2/h5-12,14H,3-4,13H2,1-2H3
PubChem CID70685210
ChEMBLCHEMBL2011740
IUPHARN/A
BindingDB50419966
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<3162.28 nMPMID22386243BindingDB,ChEMBL

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