GL1X · GenesisL1 explorer

Ligand · XOY

XOY · (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid

XOY, (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid (C42 H40 Cl N3 O4 S, 718.3 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
XOY
Formula
C42 H40 Cl N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XOY in 2 structures; the first of them:

  • 6UVC · Crystal structure of BCL-XL bound to compound 8… · XOY A301 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 14 more
  • 6UVC · Crystal structure of BCL-xl bound to compound 8: (R)-3-(benzylthio)-2… · XOY A301 · binds ALA93, GLU96, PHE97, TYR101, ALA104, PHE105, LEU108, VAL126 and 11 more

Residues it binds most

PHE 4, ALA 4, LEU 4, ARG 4, GLU 4, TYR 4, VAL 4, ASN 4, GLY 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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