Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 5
Ligand
BDBM50559623
Substrate
n/a
Meas. Tech.
ChEMBL_2069852 (CHEMBL4725105)
EC50
0.810000±n/a nM
Citation
 Ma, B; Guckian, KM; Liu, XG; Yang, C; Li, B; Scannevin, R; Mingueneau, M; Drouillard, A; Walzer, T Novel Potent Selective Orally Active S1P5 Receptor Antagonists. ACS Med Chem Lett 12:351-355 (2021) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 5
Synonyms:
EDG8 | Endothelial differentiation sphingolipid G-protein-coupled receptor 8 | S1P5 | S1PR5 | S1PR5_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor Edg-8
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
41796.42
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
398
Sequence:
MESGLLRPAPVSEVIVLHYNYTGKLRGARYQPGAGLRADAVVCLAVCAFIVLENLAVLLVLGRHPRFHAPMFLLLGSLTLSDLLAGAAYAANILLSGPLTLKLSPALWFAREGGVFVALTASVLSLLAIALERSLTMARRGPAPVSSRGRTLAMAAAAWGVSLLLGLLPALGWNCLGRLDACSTVLPLYAKAYVLFCVLAFVGILAAICALYARIYCQVRANARRLPARPGTAGTTSTRARRKPRSLALLRTLSVVLLAFVACWGPLFLLLLLDVACPARTCPVLLQADPFLGLAMANSLLNPIIYTLTNRDLRHALLRLVCCGRHSCGRDPSGSQQSASAAEASGGLRRCLPPGLDGSFSGSERSSPQRDGLDTSGSTGSPGAPTAARTLVSEPAAD
  
Inhibitor
Name:
BDBM50559623
Synonyms:
CHEMBL4747262
Type:
Small organic molecule
Emp. Form.:
C28H39NO3
Mol. Mass.:
437.6142
SMILES:
Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNC2CCC(C2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(14.87,-3.29,;14.87,-4.83,;13.55,-5.6,;13.54,-7.14,;12.21,-7.91,;10.88,-7.14,;10.89,-5.59,;9.56,-4.82,;8.22,-5.59,;8.22,-7.13,;9.55,-7.91,;6.89,-4.81,;6.9,-3.27,;5.55,-5.57,;5.55,-4.04,;14.88,-7.91,;14.88,-9.45,;16.22,-10.22,;16.22,-11.76,;17.47,-12.66,;17,-14.13,;15.46,-14.13,;14.98,-12.67,;14.56,-15.38,;13.03,-15.22,;15.19,-16.79,;16.21,-7.14,;17.55,-7.9,;18.88,-7.13,;18.87,-5.58,;17.54,-4.82,;16.21,-5.59,)|
Structure:
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