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Ligand · 87A

87A · N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide

87A, N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide (C49 H58 F…

Component
87A
Formula
C49 H58 F N9 O7 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

87A in 1 structure; the first of them:

  • 7S4E · Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and… · 87A B308 · binds VAL1408, PHE1409, GLN1411, LEU1412, PRO1413, LEU1418, TYR1421, VAL1429 and 23 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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