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| Fragment 120 |
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.
| Table S4.120. Fragment 120 interactions with His |
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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
His 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: 122 2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine PDB code: 1gi2. |
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2. Ligand: 123 2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine PDB codes: 1gi5, 1gi9. |
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3. Ligand: 124 2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine PDB code: 1gi6. |
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4. Ligand: 130 2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine PDB codes: 1gj5, 1gjb, 1gjc. |
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5. Ligand: 133 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine PDB code: 1gj8. |
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6. Ligand: 134 6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine PDB code: 1gj9. |
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7. Ligand: 196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile PDB code: 1yye. |
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8. Ligand: 247 (3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid PDB code: 2qve. |
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9. Ligand: 4AA 4-chloro-3-hydroxyanthranilic acid PDB codes: 1yfw, 1yfx. |
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10. Ligand: 4HP 4-hydroxyphenylacetate PDB codes: 2yyj, 2yym. |
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11. Ligand: 4NC 4-nitrocatechol PDB codes: 2buu, 2buz. |
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12. Ligand: 991 2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate PDB code: 1o2q. |
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13. Ligand: AC6 P-hydroxyacetophenone PDB code: 2gq8. |
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14. Ligand: AIH (2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro- 1,4-benzoxathiin-6-ol PDB code: 1xp1. |
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15. Ligand: AIJ (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4- benzoxathiin-6-ol PDB code: 1xp9. |
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16. Ligand: AIT (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4- benzoxathiin-6-ol PDB code: 1xpc. |
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17. Ligand: AIU (2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro- 1,4-benzoxathiin-6-ol PDB code: 1xp6. |
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18. Ligand: BMZ 2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine PDB codes: 1ghw, 1ghx, 1gi0, 1gi1, 1gi3, 1gi8. |
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19. Ligand: BP3 2'-chloro-biphenyl-2,3-diol PDB code: 1lgt. |
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20. Ligand: BP7 1,1'-biphenyl-3,4-diol PDB code: 2ei0. |
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21. Ligand: BPY Biphenyl-2,3-diol PDB codes: 1eir, 1kmy, 1kw6, 1kw8, 1kw9, 1kwc, 2ei3. |
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22. Ligand: BTT Benzene-1,2,4,5-tetrol PDB codes: 1ti6, 1vlf. |
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23. Ligand: C2U 3,5-dichloro-2-hydroxybenzoic acid PDB code: 3c3u. |
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24. Ligand: CAQ Catechol PDB codes: 1dlt, 1knd, 2buq, 2buy. |
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25. Ligand: CEI N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide PDB codes: 1s36, 2f8p, 2psj. |
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26. Ligand: CM4 (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol PDB code: 1yim. |
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27. Ligand: CTZ C2-hydroxy-coelenterazine PDB code: 1el4. |
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28. Ligand: CZB (2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2- a]pyrazin-3(2h)-one PDB code: 1uhj. |
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29. Ligand: CZH C2-hydroperoxy-coelenterazine PDB codes: 1jf0, 1jf2, 1qv0, 1qv1, 1sl9. |
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30. Ligand: CZI (2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin- 3(2h)-one PDB code: 1uhi. |
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31. Ligand: CZM 'N,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine' PDB codes: 1j3f, 1ufj, 1v9q. |
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32. Ligand: CZN (2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2- a]pyrazin-3(2h)-one PDB code: 1uhk. |
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33. Ligand: CZP (8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8- dihydroimidazo[1,2-a]pyrazin-3(2h)-one PDB code: 1uhh. |
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34. 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. |
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35. Ligand: DES Diethylstilbestrol PDB code: 3erd. |
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36. Ligand: DHB 3,4-dihydroxybenzoic acid PDB codes: 1ykn, 2buv. |
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37. Ligand: DHC Caffeic acid PDB code: 2o7d. |
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38. Ligand: DHY 2-(3,4-dihydroxyphenyl)acetic acid PDB codes: 1f1v, 1q0c. |
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39. Ligand: DNF 2,4-dinitrophenol PDB code: 1gvo. |
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40. Ligand: E4D (2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin- 6-ol PDB code: 1sj0. |
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41. Ligand: EI1 3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol PDB code: 2qab. |
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42. Ligand: GEN Genistein PDB codes: 1qkm, 1x7r, 2qa8. |
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43. Ligand: HBA P-hydroxybenzaldehyde PDB codes: 1oyb, 1z42, 2gq9. |
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44. Ligand: HBD 4-hydroxybenzamide PDB code: 1ben. |
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45. Ligand: HC4 4'-hydroxycinnamic acid PDB codes: 1otd, 2o7b. |
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46. Ligand: HXS 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol PDB code: 3cv6. |
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47. Ligand: IPH Phenol PDB code: 1zeg. |
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48. Ligand: KMP 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one PDB code: 2c1z. |
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49. Ligand: LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1- yl)ethoxy]phenyl}methanone PDB code: 2r6w. |
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50. Ligand: LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone PDB code: 2r6y. |
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51. Ligand: LNR L-norepinephrine PDB code: 3dye. |
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52. Ligand: MCT 4-methylcatechol PDB codes: 1dmh, 2ehz. |
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53. Ligand: NPO P-nitrophenol PDB codes: 1ls6, 1z44, 2zvp, 3ett. |
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54. Ligand: OBP 2'-hydroxy-1,1'-biphenyl-2-sulfinic acid PDB code: 2de3. |
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55. Ligand: OTR 4-(2r-amino-1-hydroxyethyl)phenol PDB codes: 1rg2, 1rgt. |
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56. Ligand: OTS 4-(2s-amino-1-hydroxyethyl)phenol PDB codes: 1rg1, 1rg1, 1rg2, 1rgt. |
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57. Ligand: PCI Pentachlorophenol PDB codes: 1y4z, 2gwh. |
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58. Ligand: PCQ 3,5,3',5'-tetrachloro-biphenyl-4,4'-diol PDB code: 1g3m. |
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59. Ligand: PHB P-hydroxybenzoic acid PDB codes: 2bur, 2buw. |
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60. Ligand: QUE 3,5,7,3',4'-pentahydroxyflavone PDB code: 2c9z. |
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61. Ligand: RAL Raloxifene PDB code: 2qxs. |
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62. Ligand: WST (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol PDB code: 2pog. |
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63. Ligand: 132 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine PDB codes: 1gj4, 1gj6, 1gj7, 1o5e. |
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64. Ligand: 312 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate PDB code: 1o2z. |
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65. Ligand: 334 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate PDB codes: 1o3j, 1o3k. |
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66. Ligand: 607 2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate PDB code: 1o36. |
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67. Ligand: 653 5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate PDB codes: 1o37, 1o38. |
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68. Ligand: 656 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate PDB code: 1o2j. |
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69. Ligand: 678 (3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate PDB code: 1o3l. |
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70. Ligand: 693 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate PDB code: 1o30. |
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71. Ligand: 696 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate PDB codes: 1o2g, 1o3e, 1o3f, 1o3g, 1o5a. |
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72. Ligand: 785 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate PDB codes: 1o3m, 1o3n, 1o3o. |
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73. Ligand: 802 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate PDB code: 1o35. |
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74. Ligand: 847 2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate PDB codes: 1o2v, 1o2w, 1o2x, 1o2y. |
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75. Ligand: 907 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate PDB codes: 1o3h, 1o3i. |
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76. Ligand: 972 2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate PDB code: 1o2p. |
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77. Ligand: BP6 2',6'-dichloro-biphenyl-2,6-diol PDB code: 1lkd. |
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78. Ligand: CRS M-cresol PDB code: 1zeh. |
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79. Ligand: D1N Naphthalene-1,2-diol PDB code: 2ei1. |
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80. Ligand: DBE bis(4-hydroxyphenyl)methanone PDB code: 2vku. |
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81. Ligand: EGT 2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol PDB code: 1jnq. |
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82. Ligand: EUG 2-methoxy-4-vinyl-phenol PDB code: 2qu9. |
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83. Ligand: FER 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid PDB code: 1jt2. |
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84. Ligand: HMO 4'-hydroxy-7-methoxyisoflavone PDB code: 1fp2. |
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85. Ligand: MBD 3-methylcatechol PDB code: 1knf. |
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86. Ligand: SDT 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione PDB code: 2zi8. |
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87. Ligand: STL Resveratrol PDB code: 3ckl. |
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88. Ligand: TC7 2,4,5-trichlorophenol PDB code: 2vce. |
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89. Ligand: TYL N-(4-hydroxyphenyl)acetamide (tylenol) PDB code: 2dpz. |
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