J8C · 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl) phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid

Binding sites

J8C in 7 structures; the first of them:

• 7EVY · Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with… · J8C D401 · binds TYR29, LYS34, TRP117, GLU121, MET124, PHE125, LEU128, SER129 and 9 more
• 7EW1 · Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with… · J8C A401 · binds LYS24, ASN92, TRP108, GLU112, PHE116, LEU119, THR120, VAL123 and 5 more
• 7TD4 · Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod · J8C R402 · binds TYR29, LYS34, ASN101, SER105, THR109, ARG120, GLU121, PHE125 and 15 more
• 7EO4 · Cryo-EM of sphingosine 1-phosphate receptor 1 / gi complex bound to BAF312 · J8C A401 · binds ASN101, SER105, GLY106, ARG120, MET124, PHE125, LEU128, SER129 and 8 more
• 7EVY · Cryo-EM structure of siponimod -bound sphingosine-1-phosphate receptor 1 in complex with… · J8C D401 · binds TYR29, LYS34, TRP117, GLU121, MET124, PHE125, LEU128, SER129 and 9 more
• 7EW1 · Cryo-EM structure of siponimod -bound sphingosine-1-phosphate receptor 5 in complex with… · J8C A401 · binds LYS24, ASN92, TRP108, GLU112, PHE116, LEU119, THR120, VAL123 and 5 more
• 7TD4 · Sphingosine-1-phosphate receptor 1-gi complex bound to siponimod · J8C R402 · binds TYR29, LYS34, ASN101, SER105, THR109, ARG120, GLU121, PHE125 and 15 more

Residues it binds most

LEU 7, VAL 7, PHE 7, THR 7, GLU 6, SER 5, TRP 6, CYS 7, LYS 6, ALA 5 (residue and the binding sites it lines).

Found with

• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose