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Ligand · VGD

VGD · 6-chloro-1H-benzimidazol-2-amine

VGD, 6-chloro-1H-benzimidazol-2-amine (C7 H6 Cl N3, 167.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
VGD
Formula
C7 H6 Cl N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

VGD in 4 structures; the first of them:

  • 2WD7 · Pteridine reductase 1 (PTR1) from trypanosoma brucei in complex with NADP and DDD00066750 · VGD A1269 · binds SER95, PHE97, ASP161, TYR174, LEU208, LEU209, PRO210
  • 3KR1 · Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine · VGD A290 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, MET258 and 3 more
  • 2WD7 · Pteridine reductase 1 (PTR1) from trypanosoma brucei in complex with NADP and DDD00066750 · VGD A1269 · binds SER95, PHE97, ASP161, TYR174, LEU208, LEU209, PRO210
  • 3KR1 · Crystal structure of hpnmt in complex adohcy and 5-chloro-1H- BENZO[D]IMIDAZOL-2-amine · VGD A290 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, MET258 and 3 more

Residues it binds most

TYR 12, ASP 12, PHE 12, LEU 8, VAL 4, PRO 8, SER 8, ALA 4, ARG 4, ASN 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SAH · S-adenosyl-L-homocysteine

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