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| Fragment 132 |
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.
| Table S1.132. Fragment 132 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. |
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| Ligand | |
Description | ||||||||||||||||||||||
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1. Ligand: 1UN 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3- carboxylic acid tert-butylamide PDB code: 1ohr. |
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2. Ligand: 2D7 N-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide PDB code: 2byh. |
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3. Ligand: 2DD 3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide PDB code: 2byi. |
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4. Ligand: 2GG 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide PDB code: 2uwd. |
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5. Ligand: 2GJ 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3- carboxamide PDB code: 2vci. |
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6. Ligand: 3FA 3-fluorobenzene-1,2-diol PDB code: 2as4. |
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7. Ligand: 43P 4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole PDB code: 1yc4. |
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8. Ligand: 4BC 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid PDB code: 1yc1. |
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9. Ligand: 4BH 4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol PDB code: 2ccs. |
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10. Ligand: AB4 2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide PDB code: 2bz5. |
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11. Ligand: AZY 3-azido-l-tyrosine PDB code: 2yxn. |
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12. Ligand: B11 N-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide PDB code: 1zz2. |
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13. Ligand: BA1 Balanol PDB code: 1bx6. |
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14. Ligand: BC6 (4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2- azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate PDB code: 2vw5. |
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15. Ligand: BIA 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one PDB code: 1h1d. |
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16. Ligand: BPY Biphenyl-2,3-diol PDB codes: 1eir, 2ei3. |
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17. Ligand: BSM 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide PDB code: 2bsm. |
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18. Ligand: BTT Benzene-1,2,4,5-tetrol PDB codes: 1ti6, 1vlf. |
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19. Ligand: BXZ 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol PDB code: 3bm9. |
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20. Ligand: CAQ Catechol PDB code: 1knd. |
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21. Ligand: CSN N,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium PDB code: 1pa9. |
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22. Ligand: CT5 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol PDB codes: 2brc, 2bt0, 2cdd. |
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23. Ligand: CXZ 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol PDB code: 3bmy. |
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24. Ligand: EUG 2-methoxy-4-vinyl-phenol PDB code: 2qu9. |
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25. Ligand: F18 4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol PDB code: 2clx. |
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26. Ligand: FER 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid PDB codes: 1gkl, 3cbg. |
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27. Ligand: FFP 2,6-difluorophenol PDB code: 2inx. |
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28. Ligand: FP2 2-fluorophenol PDB code: 3cpo. |
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29. Ligand: GK1 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde PDB code: 2zaz. |
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30. Ligand: GRE 2,6-dihydroxybenzoic acid PDB code: 2dvu. |
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31. Ligand: H53 2-(2,5-dihydroxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol PDB codes: 2fet, 2ff5. |
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32. Ligand: HBA P-hydroxybenzaldehyde PDB code: 2vq5. |
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33. Ligand: HPF 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate PDB code: 1tjp. |
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34. Ligand: HSP 4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid PDB code: 1cw2. |
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35. Ligand: IHU N-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea PDB code: 2ati. |
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36. Ligand: IPH Phenol PDB codes: 1pn0, 2pzv. |
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37. Ligand: IYR 3-iodo-tyrosine PDB code: 1wq3. |
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38. Ligand: JE2 (R)-n-(2-methylbenzyl)-3-[(2s,3s)-2-hydroxy-3-(3-hydroxy-2-methylbenzoyl)amino-4-phenylbutanoyl]- 5,5-dimethyl-1,3-thiazolidine-4-carboxamide PDB codes: 1kzk, 1msm, 1msn. |
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39. Ligand: K57 3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4- carboxylic acid tert-butylamide PDB codes: 1mrw, 1mrx. |
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40. Ligand: KJ2 4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol PDB code: 2bre. |
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41. Ligand: MZ6 N-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3- hydroxybenzamide PDB code: 2qi4. |
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42. Ligand: MZ8 N-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3- hydroxybenzamide PDB code: 2qi6. |
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43. Ligand: N20 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine PDB code: 1oi9. |
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44. Ligand: NAR Naringenin PDB code: 1cgk. |
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45. Ligand: NOV Novobiocin PDB code: 1s14. |
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46. Ligand: P4A 4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol PDB code: 2zdx. |
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47. Ligand: PYU 2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol PDB code: 3eko. |
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48. Ligand: RDA Methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate PDB code: 2fxs. |
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49. Ligand: RDC Radicicol PDB code: 2hkj. |
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50. Ligand: S24 S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate PDB code: 2osf. |
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51. Ligand: SXX Sinapinate PDB code: 1wb4. |
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52. Ligand: TYB Tyrosinal PDB codes: 1h3f, 1q11. |
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53. Ligand: TYL N-(4-hydroxyphenyl)acetamide (tylenol) PDB code: 2dpz. |
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54. Ligand: VXX Vanillate PDB code: 1wb6. |
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