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Ligand · HU3

HU3 · (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl) amino]methyl]cyclohexan-1-ol

HU3, (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl) amino]methyl]cyclohexan-1-ol (C14 H18 Br N3 O, 324.2 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…

Component
HU3
Formula
C14 H18 Br N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

HU3 in 2 structures; the first of them:

  • 7E0Q · Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with… · HU3 A502 · binds CYS129, VAL130, PHE163, ARG231, LEU234, SER235, GLY262, SER263 and 1 more
  • 7E0Q · Crystal structure of human indoleamine 2,3-dioxygenagse 1 (HIDO1) complexed with… · HU3 A502 · binds CYS129, VAL130, PHE163, ARG231, LEU234, SER235, GLY262, SER263 and 1 more

Residues it binds most

SER 4, ALA 4, ARG 4, CYS 4, GLY 4, LEU 4, PHE 4, VAL 4, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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