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Ligand · A1ACH

A1ACH · Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide

A1ACH, Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide (C31 H33 F N6 O4, 572.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
A1ACH
Formula
C31 H33 F N6 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1ACH in 1 structure; the first of them:

  • 8VJG · Human R14A Pin1 covalently bound to inhibitor 164A10 · A1ACH A201 · binds HIS59, LEU61, ASP112, CYS113, SER114, SER115, ASP121, LEU122 and 7 more

Residues it binds most

ASP 1, GLN 1, HIS 1, LEU 1, PHE 1, SER 1, CYS 1, MET 1, THR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol

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