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| Fragment 37 |
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.
| Table S2.37. Fragment 37 interactions with Glu |
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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
Glu 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: 2AF 2-aminophenol PDB code: 1l4n. |
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2. Ligand: 4AA 4-chloro-3-hydroxyanthranilic acid PDB code: 1yfx. |
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3. Ligand: BP3 2'-chloro-biphenyl-2,3-diol PDB code: 1lgt. |
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4. Ligand: BP6 2',6'-dichloro-biphenyl-2,6-diol PDB code: 1lkd. |
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5. Ligand: BPY Biphenyl-2,3-diol PDB codes: 1eir, 1kmy, 1kw6, 1kw8, 1kw9, 1kwc. |
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6. Ligand: DH2 (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one PDB code: 1gp6. |
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7. Ligand: DHY 2-(3,4-dihydroxyphenyl)acetic acid PDB codes: 1f1v, 1q0c. |
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8. Ligand: E3O (16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol PDB code: 2j7y. |
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9. Ligand: EST Estradiol PDB codes: 1aqu, 2j7x. |
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10. Ligand: HC4 4'-hydroxycinnamic acid PDB codes: 1d7e, 1f98, 1f9i, 1gsv, 1gsw, 1gsx, 1mzu, 1nwz, 1odv, 1ot9, 1otb, 1otd, 1ts0, 1ts6, 1ts7, 1ts8, 1uwn, 1uwp, 2d01, 2d02, 2phy, 2pyp, 2pyr, 2qj5, 2qj7, 2zoh, 2zoi. |
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11. Ligand: MCT 4-methylcatechol PDB codes: 1l4g, 2ehz. |
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12. Ligand: QUE 3,5,7,3',4'-pentahydroxyflavone PDB code: 1gp6. |
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13. Ligand: 17M 17-methyl-17-alpha-dihydroequilenin PDB code: 2b1z. |
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14. Ligand: 196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile PDB code: 1yye. |
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15. Ligand: 1BM 3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol PDB code: 2hk5. |
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16. Ligand: 1HP 4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol PDB code: 2qse. |
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17. Ligand: 1NP 1-naphthol PDB code: 2zvq. |
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18. Ligand: 1OH 4-(1-methyl-1-phenylethyl)phenol PDB code: 2zas. |
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19. Ligand: 2HC (2e)-3-(2-hydroxyphenyl)acrylic acid PDB code: 1v5z. |
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20. Ligand: 2MP 3,4-dimethylphenol PDB code: 1l5o. |
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21. Ligand: 2OH 4,4'-propane-2,2-diyldiphenol PDB codes: 2e2r, 2p7g. |
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22. Ligand: 3C4 (3-chloro-4-hydroxyphenyl)acetic acid PDB code: 3e5u. |
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23. Ligand: 458 4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol PDB code: 2b1v. |
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24. Ligand: 459 4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol PDB code: 2fai. |
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25. Ligand: 555 4-(4-hydroxyphenyl)-1-naphthaldehyde oxime PDB code: 2nv7. |
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26. Ligand: AB3 3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol PDB codes: 1wma, 3bhj, 3bhm. |
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27. Ligand: AEJ (1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4- tetrahydroisoquinolin-6-ol PDB code: 1xqc. |
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28. 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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29. 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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30. 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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31. 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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32. Ligand: BA1 Balanol PDB code: 1bx6. |
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33. Ligand: BD2 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate PDB code: 1re8. |
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34. 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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35. Ligand: BML 4-bromophenol PDB code: 3dhh. |
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36. Ligand: BPZ 4,4'-cyclohexane-1,1-diyldiphenol PDB code: 2zkc. |
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37. Ligand: C3D (5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol PDB code: 2ouz. |
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38. Ligand: CAQ Catechol PDB code: 1knd. |
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39. 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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40. Ligand: DBE bis(4-hydroxyphenyl)methanone PDB code: 2vku. |
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41. 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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42. Ligand: DES Diethylstilbestrol PDB code: 3erd. |
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43. Ligand: DHC Caffeic acid PDB code: 1kou. |
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44. Ligand: DNC 3,5-dinitrocatechol PDB codes: 1vid, 3bwm, 3bwy. |
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45. 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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46. Ligand: EI1 3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol PDB code: 2qab. |
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47. Ligand: EQU Equilenin PDB code: 1cqs. |
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48. Ligand: ETC (R,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol PDB code: 1l2i. |
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49. Ligand: EYK 2-tert-butylbenzene-1,4-diol PDB code: 3eyk. |
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50. Ligand: EZT (17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol PDB code: 2p15. |
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51. Ligand: GEN Genistein PDB codes: 1qkm, 1x7r, 2qa8. |
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52. Ligand: GNT (-)-Galanthamine PDB code: 1w6r. |
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53. 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. |
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54. Ligand: I04 N-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide PDB code: 1svg. |
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55. 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. |
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56. Ligand: IPH Phenol PDB codes: 1fjw, 1jhx. |
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57. Ligand: KN1 4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol PDB code: 2qzo. |
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58. Ligand: L4G 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol PDB code: 2ayr. |
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59. 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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60. 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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61. Ligand: LNR L-norepinephrine PDB code: 3dye. |
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62. Ligand: MBD 3-methylcatechol PDB code: 1knf. |
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63. Ligand: MGI methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate PDB code: 2za0. |
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64. Ligand: OHT 4-hydroxytamoxifen PDB codes: 2bj4, 2gpu, 2jf9, 3ert. |
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65. Ligand: PCR P-cresol PDB codes: 1jhu, 1jhv. |
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66. Ligand: PHB P-hydroxybenzoic acid PDB codes: 1fw9, 1g1b, 1g81, 1jd3, 1q4s, 1tt8. |
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67. Ligand: R55 N-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide PDB code: 1xh8. |
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68. Ligand: R69 N-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide PDB code: 1xh9. |
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69. Ligand: R94 N-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide PDB code: 1xh6. |
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70. Ligand: RAL Raloxifene PDB code: 2qxs. |
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71. Ligand: RCO Resorcinol PDB code: 1evr. |
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72. Ligand: SHY 4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4- a]pyrrolizin-4-yl]benzenecarboximidamide PDB code: 1vzq. |
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73. Ligand: SRO Serotonin PDB code: 2qeh. |
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74. Ligand: TYB Tyrosinal PDB code: 1kdz. |
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75. Ligand: VNL 4-hydroxy-3-methoxybenzoate PDB code: 1xlr. |
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76. 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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77. Ligand: YBY N-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid PDB code: 3d7f. |
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