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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

NameCHEMBL334038
Molecular formulaC19H33N2O5P
IUPAC name[(2R)-2-amino-3-(4-decylanilino)-3-oxopropyl] dihydrogen phosphate
Molecular weight400.456
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50133417
CHEMBL1184130
N-(4-Decylphenyl)-O-phosphono-D-serinamide
Phosphoric acid mono-[(R)-2-amino-2-(4-decyl-phenylcarbamoyl)-ethyl] ester; TFA
Inchi KeyAPIDPHFNNKWFKH-GOSISDBHSA-N
Inchi IDInChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
PubChem CID10023913
ChEMBLN/A
IUPHARN/A
BindingDB50133417
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5089.0 nMPMID14505636BindingDB

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