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Ligand · A1ACV

A1ACV · (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine

A1ACV, (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine (C25 H27 N9, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
A1ACV
Formula
C25 H27 N9
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1ACV in 1 structure; the first of them:

  • 8VOJ · The Cryo-EM structure of LSD1-CoREST-HDAC1 in complex with KBTBD4 enhanced by UM171 and… · A1ACV C503 · binds ILE310, PRO311, ARG312, ASP333, ARG334, LEU335, LYS354, THR355 and 10 more

Residues it binds most

LEU 1, ARG 1, ASP 1, HIS 1, PHE 1, GLU 1, GLY 1, ILE 1, LYS 1, PRO 1 (residue and the binding sites it lines).

Found with

  • IHP · Inositol hexakisphosphate
  • ZN · Zinc ion

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