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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

NameBDBM65105
Molecular formulaC24H32NO5P
IUPAC name[(1R,3S)-1-amino-3-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight445.496
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.6
SynonymsUS9522888, 468
Inchi KeyAEIHCANYZUEHOR-JKFKMHIGSA-N
Inchi IDInChI=1S/C24H32NO5P/c1-17-4-2-3-5-23(17)29-15-18-6-7-20-13-21(9-8-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-5,8-9,13,18,22H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22-,24+/m0/s1
PubChem CID131953612
ChEMBLN/A
IUPHARN/A
BindingDB65105
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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