Table S3.25. Fragment 25 interactions with Arg

Fragment 25
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 Arg residue via hydrogen bonds.

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

Ligand Description


  1. Ligand: 1HP
4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol
PDB code: 2qse.


  2. Ligand: 1OH
4-(1-methyl-1-phenylethyl)phenol
PDB code: 2zas.


  3. Ligand: 2OH
4,4'-propane-2,2-diyldiphenol
PDB codes: 2e2r, 2p7g.


  4. Ligand: 3QC
(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
PDB code: 2fme.


  5. Ligand: 4HP
4-hydroxyphenylacetate
PDB code: 2yyj.


  6. Ligand: BML
4-bromophenol
PDB code: 3dhh.


  7. Ligand: CAQ
Catechol
PDB codes: 2buq, 2buy.


  8. Ligand: DC8
(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
PDB code: 2q70.


  9. Ligand: DES
Diethylstilbestrol
PDB code: 3erd.


  10. Ligand: DHB
3,4-dihydroxybenzoic acid
PDB codes: 1ykn, 2bv0.


  11. Ligand: GEN
Genistein
PDB codes: 1qkm, 1x7r, 2qa8.


  12. Ligand: HC4
4'-hydroxycinnamic acid
PDB codes: 1s4r, 1t1a, 2o7b, 2o7f.


  13. Ligand: HZ3
dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PDB code: 2qr9.


  14. Ligand: IOG
N-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-
yl]acetamide
PDB code: 2iog.


  15. Ligand: KN1
4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
PDB code: 2qzo.


  16. Ligand: LLB
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-
yl)ethoxy]phenyl}methanone
PDB code: 2r6w.


  17. Ligand: LLC
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
PDB code: 2r6y.


  18. Ligand: OHT
4-hydroxytamoxifen
PDB codes: 2bj4, 2jf9, 3ert.


  19. Ligand: RAL
Raloxifene
PDB code: 2qxs.


  20. Ligand: WST
(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol
PDB code: 2pog.