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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

NameBDBM65262
Molecular formulaC22H31N2O6PS
IUPAC name[(1S,3R)-1-amino-3-[(6S)-6-[2-(1,3-thiazol-2-ylmethoxy)ethoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight482.532
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP-1.3
SynonymsUS9522888, 587
Inchi KeyALVZDODQAUXQPT-URVUXULASA-N
Inchi IDInChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
PubChem CID131953724
ChEMBLN/A
IUPHARN/A
BindingDB65262
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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