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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

NameSCHEMBL4888322
Molecular formulaC28H28F2N4O3
IUPAC nameN-[(3,4-difluorophenyl)methyl]-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
Molecular weight506.554
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM101099
SCHEMBL4888328
AGADZVZMAMJOOU-DPNNOFEESA-N
CHEMBL3655458
(e)-n-(3,4-difluorobenzyl)-6-isopropoxy-2-(1-(methoxyimino)ethyl)-1-(pyridin-2-ylmethyl)-1h-indole-3-carboxamide
[ Show all ]
Inchi KeyAGADZVZMAMJOOU-OHUYPAJKSA-N
Inchi IDInChI=1S/C28H28F2N4O3/c1-17(2)37-21-9-10-22-25(14-21)34(16-20-7-5-6-12-31-20)27(18(3)33-36-4)26(22)28(35)32-15-19-8-11-23(29)24(30)13-19/h5-14,17H,15-16H2,1-4H3,(H,32,35)/b33-18-
PubChem CID59762325
ChEMBLCHEMBL3655458
IUPHARN/A
BindingDB101099
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50263.0 nM, NoneBindingDB,ChEMBL

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