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Ligand · W77

W77 · 2,4-dichloro-N-(pyridin-3-yl)benzamide

W77, 2,4-dichloro-N-(pyridin-3-yl)benzamide (C12 H8 Cl2 N2 O, 267.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
W77
Formula
C12 H8 Cl2 N2 O
Class
ligand
Structures
3
PDB entries
3

Binding sites

W77 in 3 structures; the first of them:

  • 5FZ1 · Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge… · W77 A1773 · binds ARG86, ARG98, VAL99, LYS100, TYR425, ALA427, TYR488, SER495 and 4 more
  • 5PWC · Pandda analysis group deposition -- crystal structure of SP100 in complex with E48115B · W77 A906 · binds HIS727, SER732, ASN816, LYS819, THR820, ASN823
  • 5RAJ · Pandda analysis group deposition -- crystal structure of JMJD1B in complex with BD009815A · W77 A1801 · binds ARG1474, SER1475, GLU1476, GLY1478

Residues it binds most

ASN 2, HIS 3, ARG 2, LYS 3, SER 3, THR 2, TYR 1, ALA 1, GLU 1, GLY 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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