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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

NameSCHEMBL805638
Molecular formulaC29H29F2N3O2
IUPAC name1-benzyl-3-N-[(3,4-difluorophenyl)methyl]-6-N-ethyl-2-propan-2-ylindole-3,6-dicarboxamide
Molecular weight489.567
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM101182
US8524917, 155
CHEMBL3655518
Inchi KeyAWDNYSSLNNWAGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29F2N3O2/c1-4-32-28(35)21-11-12-22-25(15-21)34(17-19-8-6-5-7-9-19)27(18(2)3)26(22)29(36)33-16-20-10-13-23(30)24(31)14-20/h5-15,18H,4,16-17H2,1-3H3,(H,32,35)(H,33,36)
PubChem CID25060265
ChEMBLCHEMBL3655518
IUPHARN/A
BindingDB101182
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50346.0 nM, NoneBindingDB,ChEMBL

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