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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

NameSMR000092447
Molecular formulaC14H14N4O2S
IUPAC name2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Molecular weight302.352
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.0
SynonymsMLS000115295
2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
2-({5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)acetamide
2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
AC1LGL6Z
[ Show all ]
Inchi KeyAZSOMGYAVHMLCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)
PubChem CID823260
ChEMBLN/A
IUPHARN/A
BindingDB37466
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<49800.0 nMN/ABindingDB

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