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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

NameSCHEMBL4886369
Molecular formulaC28H29F2N3O2
IUPAC nameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-3-ylmethyl)indole-3-carboxamide
Molecular weight477.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsCHEMBL3655476
BDBM101122
US8524917, 95
Inchi KeyAMPDFAFYHKZPQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29F2N3O2/c1-17(2)27-26(28(34)32-15-19-7-10-23(29)24(30)12-19)22-9-8-21(35-18(3)4)13-25(22)33(27)16-20-6-5-11-31-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,32,34)
PubChem CID59762277
ChEMBLCHEMBL3655476
IUPHARN/A
BindingDB101122
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015.0 nM, NoneBindingDB,ChEMBL

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