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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

NameSphingosine 1-phosphate
Molecular formulaC18H38NO5P
IUPAC name[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular weight379.478
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.9
Synonymssphingosine-1-phosphate
26993-30-6
D-erythro-Sphingosine-1-phosphate
C18-Sphingosine 1-phosphate
Sphing-4-enine 1-phosphate
[ Show all ]
Inchi KeyDUYSYHSSBDVJSM-KRWOKUGFSA-N
Inchi IDInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
PubChem CID5283560
ChEMBLCHEMBL225155
IUPHAR911
BindingDB50158348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.158489 - 3.98108 nMPMID11705398, PMID17114004, PMID11967257IUPHAR
EC500.2 nMPMID20446681ChEMBL
EC500.2 nMPMID20446681BindingDB
EC500.449 nMPMID20188554BindingDB,ChEMBL
EC500.7 nMPMID20446681BindingDB
EC500.7 nMPMID20446681ChEMBL
EC501.1 nMPMID14505636BindingDB,ChEMBL
EC501.2 nMPMID15341948BindingDB,ChEMBL
EC501.6 nMPMID17070046BindingDB,ChEMBL
EC502.4 nMPMID20304639, PMID23245510BindingDB,ChEMBL
EC503.0 nMPMID19081720BindingDB,ChEMBL
EC503.94 nMPMID24900589ChEMBL
EC508.7 nMPMID15982878, PMID14505636BindingDB,ChEMBL
EC508.7 nMPMID15982878BindingDB
EC5079.0 nMPMID26687487BindingDB,ChEMBL
Emax1.0 -PMID15982878ChEMBL
IC500.04 nMPMID15149705ChEMBL
IC500.04 nMPMID15149705BindingDB
IC500.26 nMPMID15615513BindingDB,ChEMBL
IC500.66 nMPMID19081720BindingDB,ChEMBL
IC500.92 nMPMID20304639ChEMBL
Kd0.23 - 26.2 nMPMID10446161, PMID9988698, PMID17170199IUPHAR

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