Ligand · XS4

XS4 · 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea

XS4, 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea (C35 H42 N10 O3, 650.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: XS4
Formula: C35 H42 N10 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

XS4 in 2 structures; the first of them:

6Q8J · Nterminal domain of human SMU1 in complex with LSP641 · XS4 A601 · binds TRP56, ASP57, LEU60, GLN61, GLN64, TYR77, VAL80, LEU84 and 3 more
6Q8J · Nterminal domain of human SMU1 in complex with LSP641 · XS4 A601 · binds TRP56, ASP57, LEU60, GLN61, GLN64, TYR77, LEU84, ALA92 and 1 more

Residues it binds most

LEU 3, ALA 4, ASP 4, GLN 2, GLU 2, SER 2, TRP 2, TYR 2, THR 1, VAL 1 (residue and the binding sites it lines).

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