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Ligand · 991

991 · 2-{5-[amino(iminio)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)benzenolate

991, 2-{5-[amino(iminio)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)benzenolate (C20 H20 Cl N3 O2, 369.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
991
Formula
C20 H20 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

991 in 2 structures; the first of them:

  • 1O2Q · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 991 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 12 more
  • 1O2Q · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 991 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 12 more

Residues it binds most

CYS 2, SER 2, GLY 2, VAL 2, ASP 2, GLN 2, HIS 2, PHE 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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