Table S4.10. Fragment 10 interactions with His

Fragment 10
Listed below are the ligands in the PDB that contain the chemical fragment shown on the left and which interact via this fragment with the side chain of a His residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand Description


  1. Ligand: 1BN
1-benzyl-1h-imidazole
PDB code: 2afx.


  2. Ligand: 778
4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
PDB code: 1s63.


  3. Ligand: BNE
2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-
benzonitrile
PDB code: 1mzc.


  4. Ligand: ED1
3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-
yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid
PDB code: 3e34.


  5. Ligand: ED2
N-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-
4-sulfonamide
PDB code: 3e32.


  6. Ligand: ED5
tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-
methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate
PDB code: 3e37.


  7. Ligand: ED7
N-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-
methylbenzenesulfonamide
PDB code: 3e33.


  8. Ligand: HSM
Histamine
PDB code: 1kar.


  9. Ligand: HSO
Histidinol
PDB code: 1kae.


  10. Ligand: S48
Methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-
[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate
PDB code: 2iej.


  11. Ligand: U49
(20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-
benz[d]imidazo[4,3-k][1,6,9,12]oxatriaza-cyclooctadecosine-9-carbonitrile
PDB code: 1ld8.


  12. Ligand: U66
(20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-
l][1,6,9,13]oxatriazacyclonoadecosine-9-carbonitrile
PDB code: 1ld7.


  13. Ligand: GUN
Guanine
PDB code: 2i9u.


  14. Ligand: HSO
Histidinol
PDB code: 1kae.


  15. Ligand: PIM
4-phenyl-1h-imidazole
PDB code: 1e9x.