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Ligand · XCG

XCG · 2-(2-benzofuranyl)-2-imidazoline

XCG, 2-(2-benzofuranyl)-2-imidazoline (C11 H8 N2 O, 184.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
XCG
Formula
C11 H8 N2 O
Class
ligand
Structures
10
PDB entries
5

Binding sites

XCG in 10 structures; the first of them:

  • 2XCG · Tranylcypromine-inhibited human monoamine oxidase B in complex with 2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, LEU164, LEU167, PHE168 and 8 more
  • 2XFN · Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline · XCG A1501 · binds GLU84, LEU88, GLY101, PRO102, TRP119, LEU164, LEU167, PHE168 and 7 more
  • 2XFO · tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with… · XCG A1504 · binds GLU84, LEU88, GLY101, PRO102, PHE103, TRP119, LEU164, LEU167 and 9 more
  • 2XFP · Isatin-inhibited human monoamine oxidase B in complex with 2-(2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, LEU164, LEU167, PHE168 and 7 more
  • 2XFQ · Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, TRP119, LEU164, LEU167 and 8 more
  • 2XCG · Tranylcypromine-inhibited human monoamine oxidase B in complex with 2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, LEU164, LEU167, PHE168 and 8 more
  • 2XFN · Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline · XCG A1501 · binds GLU84, LEU88, GLY101, PRO102, TRP119, LEU164, LEU167, PHE168 and 7 more
  • 2XFO · Tranylcypromine-inhibited human monoamine oxidase B ILE199ALA mutant in complex with… · XCG A1504 · binds GLU84, LEU88, GLY101, PRO102, PHE103, TRP119, LEU164, LEU167 and 9 more
  • 2XFP · Isatin-inhibited human monoamine oxidase B in complex with 2-(2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, LEU164, LEU167, PHE168 and 7 more
  • 2XFQ · Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2… · XCG A602 · binds GLU84, LEU88, GLY101, PRO102, PHE103, TRP119, LEU164, LEU167 and 8 more

Residues it binds most

LEU 20, PHE 20, THR 20, ILE 20, GLU 20, PRO 20, SER 20, TYR 20, GLY 18, TRP 14 (residue and the binding sites it lines).

Found with

  • C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
  • FAD · Flavin-adenine dinucleotide
  • 3PL · 3-phenylpropanal
  • FA8 · [[(2R,3S,4S)-5-[(4AS)-7,8-dimethyl-2,4-dioxo-4A,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • ISN · Isatin
  • RAS · (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine

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