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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

NameSCHEMBL805715
Molecular formulaC29H29F2N3O2
IUPAC name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-propan-2-ylindole-3-carboxamide
Molecular weight489.567
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM101209
CHEMBL3659680
US8524917, 182
Inchi KeyAGCSCYUABDUONY-HNSNBQBZSA-N
Inchi IDInChI=1S/C29H29F2N3O2/c1-18(2)28-27(29(35)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(19(3)33-36-4)15-26(23)34(28)17-20-8-6-5-7-9-20/h5-15,18H,16-17H2,1-4H3,(H,32,35)/b33-19+
PubChem CID44233497
ChEMBLCHEMBL3659680
IUPHARN/A
BindingDB101209
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50147.0 nM, NoneBindingDB,ChEMBL

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