Ligand · XE9
XE9 · [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine
XE9, [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine (C20 H21 Cl N4, 352.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…
- Component
- XE9
- Formula
- C20 H21 Cl N4
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
XE9 in 2 structures; the first of them:
- 8QZQ · Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor · XE9 A1101 · binds LEU404, ASP407, ASP408, VAL411, ASN415, GLN437, ILE438, ALA441 and 11 more
- 8QZT · Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at… · XE9 A1101 · binds LEU404, ASP407, ASP408, VAL411, ASN415, ILE438, ALA441, LEU442 and 9 more
Residues it binds most
LEU 3, ASP 3, ILE 3, ALA 3, LYS 3, ASN 3, GLU 3, PHE 3, VAL 3, GLN 2 (residue and the binding sites it lines).
Found with
- WR6 · [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate
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