Antibacterial ligands

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  1. CD437, Agonist of Retinoic acid receptor-γ
    Cas#: 125316-60-1        Compound CID:  135411
    Formula:  C27H26O3        Molecular Weight: 398.49
    IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid
    SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
    InChIKey: LDGIHZJOIQSHPB-UHFFFAOYSA-N
    InChI: InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
    Synonyms: CD 437 | 6-[3-(1-adamantyl)-4-hydroxy-phenyl]naphthalene-2-carboxylic acid | 6-[3-(1-adamantyl)-4-hydroxyphenyl]napht...
  2. Cefazolin
    Cas#: 25953-19-9        Compound CID:  33255
    Formula:  C14H14N8O4S3        Molecular Weight: 454.51
    IUPAC Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O
    InChIKey: MLYYVTUWGNIJIB-BXKDBHETSA-N
    InChI: InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
    Synonyms: NCGC00159465-02 | Cephazolin | CEFAZOLIN [HSDB] | Cefazoline (INN-French) | DivK1c_000014 | J01DB04 | KBio2_003114 | ...
  3. Cefotaxime acid
    Cas#: 63527-52-6        Compound CID:  5742673
    Formula:  C16H17N5O7S2        Molecular Weight: 455.46
    IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
    InChIKey: GPRBEKHLDVQUJE-QSWIMTSFSA-N
    InChI: InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
    Synonyms: 4kot | BDBM50482777 | Cefotaximum | Diglycidylester kyseliny hexahydroftalove [Czech] | J01DA10 | C06885 | EN300-2170...
  4. Cefotaxime acid
    Cas#: 63527-52-6        Compound CID:  5742673
    Formula:  C16H17N5O7S2        Molecular Weight: 455.46
    IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
    InChIKey: GPRBEKHLDVQUJE-QSWIMTSFSA-N
    InChI: InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
    Synonyms: cefotaxime|Cephotaxime|63527-52-6|Cefotaxima|Cefotaximum|Omnatax|Taxim|Cefotaxim Hikma|CHEBI:204928|UNII-N2GI8B1GK7|6...
  5. Cephalothin, Inhibitor of Organic anion transporter 3;Inhibitor of Organic anion transporter 4
    Cas#: 153-61-7        Compound CID:  6024
    Formula:  C16H16N2O6S2        Molecular Weight: 396.4
    IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O
    InChIKey: XIURVHNZVLADCM-IUODEOHRSA-N
    InChI: InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
    Synonyms: (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ...
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