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Antibacterial ligands

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  1. , Inhibitor of MMP7;Inhibitor of MMP8
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    Doxycycline, Inhibitor of MMP7;Inhibitor of MMP8
    Cas#: 564-25-0        Compound CID:  54671203
    Formula:  C22H24N2O8        Molecular Weight: 444.44
    IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
    InChIKey: SGKRLCUYIXIAHR-AKNGSSGZSA-N
    InChI: InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
    Synonyms: Doxivetin | 4-Epioxytetracycline, 6-deoxy- | Vibramycin | Deoxymykoin | DMSC (*Fosfatex) | DTXSID80992212 | FT-062544...
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    Caffeic acid
    Cas#: 331-39-5        Compound CID:  689043
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
    SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
    InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
    InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
    Synonyms: (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | caffeic acid | 3-(3,4-dihydroxyphenyl)acrylic acid | (E)-3,4-dihydrox...
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    Caffeic acid
    Cas#: 331-39-5        Compound CID:  689043
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
    SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
    InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
    InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
    Synonyms: (E)-3,4-dihydroxycinnamic acid | 3,4-Dihydroxycinnamic acid
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    Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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    Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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    MMP8
  2. Target
    TDP2
  3. Target
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Target
  1. CYP3A4 7 items
  2. TAS2R8 7 items
  3. CYP1B1 6 items
  4. CYP2C9 6 items
  5. CA12 6 items
  6. CA7 6 items
  7. CYP1A2 5 items
  8. CYP2C19 5 items
  9. TAS2R41 5 items
  10. CYP1A1 5 items
  11. CISD1 5 items
  12. KCNH2 5 items
  13. MLNR 5 items
  14. CYP2D6 4 items
  15. DPP4 4 items
  16. KCNJ4 4 items
  17. FABP4 4 items
  18. SLCO1B1 4 items
  19. SLCO1B3 4 items
  20. SLC22A8 4 items
  21. TRPV4 4 items
  22. CYP19A1 4 items
  23. KCNK2 4 items
  24. KCNK3 4 items
  25. KCND2 4 items
  26. HSD17B2 3 items
  27. SLC22A6 3 items
  28. STAT3 3 items
  29. TRPC5 3 items
  30. SIGMAR1 3 items
  31. CA4 3 items
  32. TYR 3 items
  33. AHR 3 items
  34. KCNT1 3 items
  35. CYP24A1 2 items
  36. CBR1 2 items
  37. CYP3A5 2 items
  38. SLC6A2 2 items
  39. SLC6A3 2 items
  40. TAS2R20 2 items
  41. TDP2 2 items
  42. MPO 2 items
  43. MMP1 2 items
  44. MMP9 2 items
  45. MMP2 2 items
  46. CASR 2 items
  47. CYP17A1 2 items
  48. XDH 2 items
  49. CHRNA7 2 items
  50. ADRB2 2 items
  51. ADRA2A 2 items
  52. MAOB 2 items
  53. TAS2R9 2 items
  54. GRM5 2 items
  55. GPRC6A 2 items
  56. P2RX4 2 items
  57. P2RX7 2 items
  58. NAAA 2 items
  59. CXCR2 1 item
  60. CXCR1 1 item
  61. DPEP1 1 item
  62. DHFR 1 item
  63. ESR2 1 item
  64. CYP2A13 1 item
  65. RARG 1 item
  66. PTPN1 1 item
  67. TRPM2 1 item
  68. HSP90AA1 1 item
  69. ABCB1 1 item
  70. HMGCS1 1 item
  71. TRPC6 1 item
  72. SLC22A11 1 item
  73. TAS2R40 1 item
  74. TAS2R4 1 item
  75. SNCA 1 item
  76. IARS 1 item
  77. TRPA1 1 item
  78. PTGS2 1 item
  79. PRKCZ 1 item
  80. MMP7 1 item
  81. MPC2 1 item
  82. MPC1L 1 item
  83. TRPV5 1 item
  84. MAOA 1 item
  85. F2 1 item
  86. CLCN2 1 item
  87. KCNK4 1 item
  88. KCNK18 1 item
  89. KCNJ5 1 item
  90. KCNK10 1 item
  91. KCNK13 1 item
  92. MMP8 1 item
  93. NAPEPLD 1 item
Grade
  1. Moligand™ 5 items
  2. analytical standard 1 item
Action Type
  1. INHIBITOR 1 item
Molecule Type
  1. Small molecule 4 items
Purity
  1. ≥97% 1 item
  2. ≥98% 1 item
  3. ≥99% 1 item
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