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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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  2. , Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7
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    Ivermectine, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7
    Cas#: 70288-86-7        Compound CID:  6321424
    Formula:  C48H74O14        Molecular Weight: 875.09
    IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
    SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
    InChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-N
    InChI: InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
    Synonyms: AKOS027470116 | AZSNMRSAGSSBNP-XPNPUAGNSA-N | CS-0108408 | HMS3712O14 | 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN | Dih...
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  3. , Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7
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    Ivermectine, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7
    Cas#: 70288-86-7        Compound CID:  6321424
    Formula:  C48H74O14        Molecular Weight: 875.09
    IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
    SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
    InChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-N
    InChI: InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
    Synonyms: AKOS027470116 | AZSNMRSAGSSBNP-XPNPUAGNSA-N | CS-0108408 | HMS3712O14 | 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN | Dih...
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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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  1. CYP3A4 7 items
  2. TAS2R8 7 items
  3. CYP1B1 6 items
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  5. CA12 6 items
  6. CA7 6 items
  7. CYP1A2 5 items
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  20. SLC22A8 4 items
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  26. HSD17B2 3 items
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  31. CA4 3 items
  32. TYR 3 items
  33. AHR 3 items
  34. KCNT1 3 items
  35. CYP24A1 2 items
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  38. SLC6A2 2 items
  39. SLC6A3 2 items
  40. TAS2R20 2 items
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  48. XDH 2 items
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  50. ADRB2 2 items
  51. ADRA2A 2 items
  52. MAOB 2 items
  53. TAS2R9 2 items
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  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. ALLOSTERIC MODULATOR 2 items
  2. INHIBITOR 1 item
Molecule Type
  1. Small molecule 4 items
Purity
  1. ≥95% 1 item
  2. ≥97% 1 item
  3. ≥98% 1 item
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