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Ligand · 0US

0US · N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide

0US, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide (C30 H39 N5 O4 S, 565.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
0US
Formula
C30 H39 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0US in 2 structures; the first of them:

  • 4FOB · Crystal structure of human anaplastic lymphoma kinase in complex with… · 0US A1501 · binds LEU1122, GLY1123, HIS1124, GLY1125, VAL1130, ALA1148, LYS1150, GLU1167 and 16 more
  • 4FOB · Crystal structure of human anaplastic lymphoma kinase in complex with… · 0US A1501 · binds LEU1122, GLY1123, HIS1124, GLY1125, VAL1130, ALA1148, LYS1150, GLU1167 and 16 more

Residues it binds most

GLY 2, LEU 2, ALA 2, ASP 2, GLU 2, VAL 2, ARG 2, ASN 2, CYS 2, HIS 2 (residue and the binding sites it lines).

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