| Table S1.53. Fragment 53 interactions with Asp |
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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
Asp residue via hydrogen bonds.
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum. |
| Ligand | Description | |||||||||||||||||||||||
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1. Ligand: 189 N-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3- yl)methyl]acetamide PDB code: 1xl2. |
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2. Ligand: BZN N-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide PDB code: 3bhe. |
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3. Ligand: CS7 N'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5- methyl-n,n-dipropylisophthalamide PDB code: 2qmd. |
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4. Ligand: G0G N,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide) PDB code: 2pqz. |
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5. Ligand: G3G N,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide) PDB codes: 2pwc, 2r3w, 2r43. |
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6. Ligand: G4G 4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide PDB codes: 2pwr, 2r38, 2r3t. |
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7. Ligand: SC6 N-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2- (methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide PDB code: 2qmg. |
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8. Ligand: YDP (3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine PDB code: 3ckt. |
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