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Ligand · X9I

X9I · 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid

X9I, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid (C15 H13 N3 O5, 315.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
X9I
Formula
C15 H13 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

X9I in 2 structures; the first of them:

  • 3R7I · CDK2 in complex with inhibitor KVR-1-74 · X9I A505 · binds GLU8, ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 8 more
  • 3R7I · CDK2 in complex with inhibitor kvr-1-74 · X9I A505 · binds GLU8, ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 8 more

Residues it binds most

GLU 2, LEU 2, LYS 2, PHE 2, VAL 2, ALA 2, ASP 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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