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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

NameSR-02000000242
Molecular formulaC19H15Cl2NO2
IUPAC name5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)furan-2-carboxamide
Molecular weight360.234
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.8
SynonymsSR-02000000242-1
5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)furan-2-carboxamide
BAS 01064652
AC1LLQ4X
Oprea1_143483
[ Show all ]
Inchi KeyADEIWISNTUOOEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15Cl2NO2/c1-11-3-4-12(2)16(9-11)22-19(23)18-8-7-17(24-18)14-10-13(20)5-6-15(14)21/h3-10H,1-2H3,(H,22,23)
PubChem CID1114196
ChEMBLCHEMBL1473443
IUPHARN/A
BindingDB62398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<25000.0 nMPubChem BioAssay data setChEMBL
IC5025000.0 nMN/ABindingDB

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