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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

NameBDBM65133
Molecular formulaC26H37N2O5P
IUPAC name[(1R,3S)-1-amino-3-[(6R)-6-[[3-[(dimethylamino)methyl]phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight488.565
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.1
SynonymsUS9522888, 490
Inchi KeyAOCJRMXPEZWXNP-UGIARPQZSA-N
Inchi IDInChI=1S/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/m1/s1
PubChem CID131953631
ChEMBLN/A
IUPHARN/A
BindingDB65133
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<625.0 nMN/ABindingDB

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