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Ligand · 3OT

3OT · 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one

3OT, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one (C29 H31 N3 O3, 469.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
3OT
Formula
C29 H31 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

3OT in 4 structures; the first of them:

  • 4WHU · BROMO domain of CREB binding protein · 3OT A4000 · binds PRO1106, LEU1109, PRO1110, PHE1111, VAL1115, LEU1119, LEU1120, ILE1122 and 7 more
  • 4WHW · Direct photocapture of bromodomains using tropolone chemical probes · 3OT A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LYS91, LEU92, LEU94 and 5 more
  • 4WHU · Bromo domain of creb binding protein · 3OT A4000 · binds PRO1106, LEU1109, PRO1110, PHE1111, VAL1115, LEU1119, LEU1120, ILE1122 and 7 more
  • 4WHW · Direct photocapture of bromodomains using tropolone chemical probes · 3OT A201 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LYS91, LEU92, LEU94 and 5 more

Residues it binds most

LEU 4, TYR 4, PHE 4, PRO 4, VAL 4, ASN 4, ILE 4, ALA 2, ARG 2, CYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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