Found 147 hits of ic50 for UniProtKB: P0A6W3 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221211
(CHEMBL97077)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1)C(N)=O |c:23| Show InChI InChI=1S/C23H26N4O11/c1-35-16-15(31)21(27-8-7-13(29)26-23(27)34)37-17(16)18(19(24)32)38-22-14(30)11(28)9-12(36-22)20(33)25-10-5-3-2-4-6-10/h2-9,11,14-18,21-22,28,30-31H,1H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221211
(CHEMBL97077)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1)C(N)=O |c:23| Show InChI InChI=1S/C23H26N4O11/c1-35-16-15(31)21(27-8-7-13(29)26-23(27)34)37-17(16)18(19(24)32)38-22-14(30)11(28)9-12(36-22)20(33)25-10-5-3-2-4-6-10/h2-9,11,14-18,21-22,28,30-31H,1H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221473
(CHEMBL94424)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1cccc(C)c1)C(N)=O |c:23| Show InChI InChI=1S/C24H28N4O11/c1-10-4-3-5-11(8-10)26-21(34)13-9-12(29)15(31)23(37-13)39-19(20(25)33)18-17(36-2)16(32)22(38-18)28-7-6-14(30)27-24(28)35/h3-9,12,15-19,22-23,29,31-32H,1-2H3,(H2,25,33)(H,26,34)(H,27,30,35)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221201
(CHEMBL97712)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1)C(N)=O |c:23| Show InChI InChI=1S/C23H24F2N4O11/c1-37-16-15(33)21(29-5-4-13(31)28-23(29)36)39-17(16)18(19(26)34)40-22-14(32)11(30)7-12(38-22)20(35)27-8-2-3-9(24)10(25)6-8/h2-7,11,14-18,21-22,30,32-33H,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135598
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135598
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135598
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against translocase-I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135599
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory concentration against translocase-I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135599
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50135599
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13| Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221409
(CHEMBL96162)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1cccc(F)c1)C(N)=O |c:23| Show InChI InChI=1S/C23H25FN4O11/c1-36-16-15(32)21(28-6-5-13(30)27-23(28)35)38-17(16)18(19(25)33)39-22-14(31)11(29)8-12(37-22)20(34)26-10-4-2-3-9(24)7-10/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221204
(CHEMBL327358)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1cccc(F)c1F)C(N)=O |c:23| Show InChI InChI=1S/C23H24F2N4O11/c1-37-16-15(33)21(29-6-5-12(31)28-23(29)36)39-17(16)18(19(26)34)40-22-14(32)10(30)7-11(38-22)20(35)27-9-4-2-3-8(24)13(9)25/h2-7,10,14-18,21-22,30,32-33H,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t10-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221205
(CHEMBL317088)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1cccs1)C(N)=O |c:23| Show InChI InChI=1S/C23H28N4O11S/c1-35-16-15(31)21(27-7-5-13(29)26-23(27)34)37-17(16)18(19(24)32)38-22-14(30)11(28)9-12(36-22)20(33)25-6-4-10-3-2-8-39-10/h2-3,5,7-9,11,14-18,21-22,28,30-31H,4,6H2,1H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221054
(CHEMBL97606)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(C)cc1)C(N)=O |c:23| Show InChI InChI=1S/C24H28N4O11/c1-10-3-5-11(6-4-10)26-21(34)13-9-12(29)15(31)23(37-13)39-19(20(25)33)18-17(36-2)16(32)22(38-18)28-8-7-14(30)27-24(28)35/h3-9,12,15-19,22-23,29,31-32H,1-2H3,(H2,25,33)(H,26,34)(H,27,30,35)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221475
(CHEMBL94839)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1nc(cs1)C(C)(C)C)C(N)=O |c:23| Show InChI InChI=1S/C24H31N5O11S/c1-24(2,3)11-8-41-22(26-11)28-19(35)10-7-9(30)13(32)21(38-10)40-17(18(25)34)16-15(37-4)14(33)20(39-16)29-6-5-12(31)27-23(29)36/h5-9,13-17,20-21,30,32-33H,1-4H3,(H2,25,34)(H,26,28,35)(H,27,31,36)/t9-,13-,14+,15-,16-,17+,20+,21+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221469
(CHEMBL329448)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(F)cc1F)C(N)=O |c:23| Show InChI InChI=1S/C23H24F2N4O11/c1-37-16-15(33)21(29-5-4-13(31)28-23(29)36)39-17(16)18(19(26)34)40-22-14(32)11(30)7-12(38-22)20(35)27-10-3-2-8(24)6-9(10)25/h2-7,11,14-18,21-22,30,32-33H,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221051
(CHEMBL319731)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(Cl)cc1Cl)C(N)=O |c:23| Show InChI InChI=1S/C25H28Cl2N4O11/c1-39-18-17(35)23(31-7-5-15(33)30-25(31)38)41-19(18)20(21(28)36)42-24-16(34)13(32)9-14(40-24)22(37)29-6-4-10-2-3-11(26)8-12(10)27/h2-3,5,7-9,13,16-20,23-24,32,34-35H,4,6H2,1H3,(H2,28,36)(H,29,37)(H,30,33,38)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221457
(CHEMBL94400)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(Cl)cc1)C(N)=O |c:23| Show InChI InChI=1S/C23H25ClN4O11/c1-36-16-15(32)21(28-7-6-13(30)27-23(28)35)38-17(16)18(19(25)33)39-22-14(31)11(29)8-12(37-22)20(34)26-10-4-2-9(24)3-5-10/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221331
(CHEMBL430672)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1cccc(OC)c1)C(N)=O |c:23| Show InChI InChI=1S/C26H32N4O12/c1-38-13-5-3-4-12(10-13)6-8-28-23(36)15-11-14(31)17(33)25(40-15)42-21(22(27)35)20-19(39-2)18(34)24(41-20)30-9-7-16(32)29-26(30)37/h3-5,7,9-11,14,17-21,24-25,31,33-34H,6,8H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221407
(CHEMBL418960)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(Br)cc1)C(N)=O |c:23| Show InChI InChI=1S/C23H25BrN4O11/c1-36-16-15(32)21(28-7-6-13(30)27-23(28)35)38-17(16)18(19(25)33)39-22-14(31)11(29)8-12(37-22)20(34)26-10-4-2-9(24)3-5-10/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221408
(CHEMBL97276)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1nccs1)C(N)=O |c:23| Show InChI InChI=1S/C20H23N5O11S/c1-33-12-11(29)17(25-4-2-9(27)23-20(25)32)35-13(12)14(15(21)30)36-18-10(28)7(26)6-8(34-18)16(31)24-19-22-3-5-37-19/h2-7,10-14,17-18,26,28-29H,1H3,(H2,21,30)(H,22,24,31)(H,23,27,32)/t7-,10-,11+,12-,13-,14+,17+,18+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221330
(CHEMBL96561)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1cccc(Cl)c1)C(N)=O |c:23| Show InChI InChI=1S/C25H29ClN4O11/c1-38-18-17(34)23(30-8-6-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-7-5-11-3-2-4-12(26)9-11/h2-4,6,8-10,13,16-20,23-24,31,33-34H,5,7H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221060
(CHEMBL95074)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(Cl)cc1)C(N)=O |c:23| Show InChI InChI=1S/C25H29ClN4O11/c1-38-18-17(34)23(30-9-7-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,13,16-20,23-24,31,33-34H,6,8H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221055
(CHEMBL316294)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(CC)cc1)C(N)=O |c:23| Show InChI InChI=1S/C25H30N4O11/c1-3-11-4-6-12(7-5-11)27-22(35)14-10-13(30)16(32)24(38-14)40-20(21(26)34)19-18(37-2)17(33)23(39-19)29-9-8-15(31)28-25(29)36/h4-10,13,16-20,23-24,30,32-33H,3H2,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221212
(CHEMBL318123)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1OCc1ccccc1)C(N)=O |c:23| Show InChI InChI=1S/C30H32N4O12/c1-42-23-22(38)28(34-12-11-20(36)33-30(34)41)45-24(23)25(26(31)39)46-29-21(37)17(35)13-19(44-29)27(40)32-16-9-5-6-10-18(16)43-14-15-7-3-2-4-8-15/h2-13,17,21-25,28-29,35,37-38H,14H2,1H3,(H2,31,39)(H,32,40)(H,33,36,41)/t17-,21-,22+,23-,24-,25+,28+,29+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221487
(CHEMBL94502)Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:29| Show InChI InChI=1S/C29H41N5O13/c1-4-5-9-18(37)45-23-20(43-3)21(46-27(23)34-11-10-17(36)33-29(34)42)22(24(30)39)47-28-19(38)15(35)12-16(44-28)26(41)32-14-8-6-7-13(2)31-25(14)40/h10-15,19-23,27-28,35,38H,4-9H2,1-3H3,(H2,30,39)(H,31,40)(H,32,41)(H,33,36,42)/t13-,14+,15+,19+,20-,21+,22-,23-,27-,28-/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221470
(CHEMBL96048)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccccc1)C(N)=O |c:23| Show InChI InChI=1S/C25H30N4O11/c1-37-18-17(33)23(29-10-8-15(31)28-25(29)36)39-19(18)20(21(26)34)40-24-16(32)13(30)11-14(38-24)22(35)27-9-7-12-5-3-2-4-6-12/h2-6,8,10-11,13,16-20,23-24,30,32-33H,7,9H2,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221460
(CHEMBL318182)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(F)cc1)C(N)=O |c:23| Show InChI InChI=1S/C25H29FN4O11/c1-38-18-17(34)23(30-9-7-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,13,16-20,23-24,31,33-34H,6,8H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221459
(CHEMBL97275)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(OC)c(OC)c1)C(N)=O |c:23| Show InChI InChI=1S/C27H34N4O13/c1-39-14-5-4-12(10-15(14)40-2)6-8-29-24(37)16-11-13(32)18(34)26(42-16)44-22(23(28)36)21-20(41-3)19(35)25(43-21)31-9-7-17(33)30-27(31)38/h4-5,7,9-11,13,18-22,25-26,32,34-35H,6,8H2,1-3H3,(H2,28,36)(H,29,37)(H,30,33,38)/t13-,18-,19+,20-,21-,22+,25+,26+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221412
(CHEMBL97734)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccccc1Cl)C(N)=O |c:23| Show InChI InChI=1S/C25H29ClN4O11/c1-38-18-17(34)23(30-9-7-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-8-6-11-4-2-3-5-12(11)26/h2-5,7,9-10,13,16-20,23-24,31,33-34H,6,8H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221245
(CHEMBL97284)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NC1CCCCCC1)C(N)=O |c:23| Show InChI InChI=1S/C24H34N4O11/c1-36-17-16(32)22(28-9-8-14(30)27-24(28)35)38-18(17)19(20(25)33)39-23-15(31)12(29)10-13(37-23)21(34)26-11-6-4-2-3-5-7-11/h8-12,15-19,22-23,29,31-32H,2-7H2,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1 | PDB
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| n/a | n/a | 48.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221468
(CHEMBL314326)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(cc1)C(F)(F)F)C(N)=O |c:23| Show InChI InChI=1S/C24H25F3N4O11/c1-39-16-15(35)21(31-7-6-13(33)30-23(31)38)41-17(16)18(19(28)36)42-22-14(34)11(32)8-12(40-22)20(37)29-10-4-2-9(3-5-10)24(25,26)27/h2-8,11,14-18,21-22,32,34-35H,1H3,(H2,28,36)(H,29,37)(H,30,33,38)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221463
(CHEMBL98242)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(CCC)cc1)C(N)=O |c:23| Show InChI InChI=1S/C26H32N4O11/c1-3-4-12-5-7-13(8-6-12)28-23(36)15-11-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-2)18(34)24(40-20)30-10-9-16(32)29-26(30)37/h5-11,14,17-21,24-25,31,33-34H,3-4H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221329
(CHEMBL318556)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccccc1OC)C(N)=O |c:23| Show InChI InChI=1S/C26H32N4O12/c1-38-14-6-4-3-5-12(14)7-9-28-23(36)15-11-13(31)17(33)25(40-15)42-21(22(27)35)20-19(39-2)18(34)24(41-20)30-10-8-16(32)29-26(30)37/h3-6,8,10-11,13,17-21,24-25,31,33-34H,7,9H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,17-,18+,19-,20-,21+,24+,25+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221461
(CHEMBL97573)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1OC)C(N)=O |c:23| Show InChI InChI=1S/C24H28N4O12/c1-36-12-6-4-3-5-10(12)26-21(34)13-9-11(29)15(31)23(38-13)40-19(20(25)33)18-17(37-2)16(32)22(39-18)28-8-7-14(30)27-24(28)35/h3-9,11,15-19,22-23,29,31-32H,1-2H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,15-,16+,17-,18-,19+,22+,23+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221244
(CHEMBL319513)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCCCCC)C(N)=O |c:23| Show InChI InChI=1S/C23H34N4O11/c1-3-4-5-6-8-25-20(33)12-10-11(28)14(30)22(36-12)38-18(19(24)32)17-16(35-2)15(31)21(37-17)27-9-7-13(29)26-23(27)34/h7,9-11,14-18,21-22,28,30-31H,3-6,8H2,1-2H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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| n/a | n/a | 55.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221053
(CHEMBL97405)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NC1CCCCC1)C(N)=O |c:23| Show InChI InChI=1S/C23H32N4O11/c1-35-16-15(31)21(27-8-7-13(29)26-23(27)34)37-17(16)18(19(24)32)38-22-14(30)11(28)9-12(36-22)20(33)25-10-5-3-2-4-6-10/h7-11,14-18,21-22,28,30-31H,2-6H2,1H3,(H2,24,32)(H,25,33)(H,26,29,34)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221466
(A-500359E | CHEMBL98677)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)OC)C(N)=O |c:23| Show InChI InChI=1S/C18H23N3O12/c1-29-11-10(25)15(21-4-3-8(23)20-18(21)28)32-12(11)13(14(19)26)33-17-9(24)6(22)5-7(31-17)16(27)30-2/h3-6,9-13,15,17,22,24-25H,1-2H3,(H2,19,26)(H,20,23,28)/t6-,9-,10+,11-,12-,13+,15+,17+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221482
(CHEMBL94673)Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O |c:31| Show InChI InChI=1S/C30H43N5O13/c1-3-4-5-6-10-19(38)46-24-21(44-2)22(47-28(24)35-13-11-18(37)34-30(35)43)23(25(31)40)48-29-20(39)16(36)14-17(45-29)27(42)33-15-9-7-8-12-32-26(15)41/h11,13-16,20-24,28-29,36,39H,3-10,12H2,1-2H3,(H2,31,40)(H,32,41)(H,33,42)(H,34,37,43)/t15-,16-,20-,21+,22-,23+,24+,28+,29+/m0/s1 | PDB
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| n/a | n/a | 58.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against translocase-I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221471
(CHEMBL420073)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(C)cc1)C(N)=O |c:23| Show InChI InChI=1S/C26H32N4O11/c1-12-3-5-13(6-4-12)7-9-28-23(36)15-11-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-2)18(34)24(40-20)30-10-8-16(32)29-26(30)37/h3-6,8,10-11,14,17-21,24-25,31,33-34H,7,9H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1 | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221499
(CHEMBL318555)Show SMILES [H][C@@]1(O[C@H]([C@H](OCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:29| Show InChI InChI=1S/C30H45N5O12/c1-4-5-6-7-13-44-24-21(43-3)22(46-28(24)35-12-11-19(37)34-30(35)42)23(25(31)39)47-29-20(38)17(36)14-18(45-29)27(41)33-16-10-8-9-15(2)32-26(16)40/h11-12,14-17,20-24,28-29,36,38H,4-10,13H2,1-3H3,(H2,31,39)(H,32,40)(H,33,41)(H,34,37,42)/t15-,16+,17+,20+,21-,22+,23-,24-,28-,29-/m1/s1 | PDB
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| n/a | n/a | 59.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221512
(CHEMBL318366)Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:30| Show InChI InChI=1S/C30H43N5O13/c1-4-5-6-10-19(38)46-24-21(44-3)22(47-28(24)35-12-11-18(37)34-30(35)43)23(25(31)40)48-29-20(39)16(36)13-17(45-29)27(42)33-15-9-7-8-14(2)32-26(15)41/h11-16,20-24,28-29,36,39H,4-10H2,1-3H3,(H2,31,40)(H,32,41)(H,33,42)(H,34,37,43)/t14-,15+,16+,20+,21-,22+,23-,24-,28-,29-/m1/s1 | PDB
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| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221462
(CHEMBL97039)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1OCC)C(N)=O |c:23| Show InChI InChI=1S/C25H30N4O12/c1-3-38-13-7-5-4-6-11(13)27-22(35)14-10-12(30)16(32)24(39-14)41-20(21(26)34)19-18(37-2)17(33)23(40-19)29-9-8-15(31)28-25(29)36/h4-10,12,16-20,23-24,30,32-33H,3H2,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t12-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221493
(CHEMBL95078)Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:31| Show InChI InChI=1S/C31H45N5O13/c1-4-5-6-7-11-20(39)47-25-22(45-3)23(48-29(25)36-13-12-19(38)35-31(36)44)24(26(32)41)49-30-21(40)17(37)14-18(46-30)28(43)34-16-10-8-9-15(2)33-27(16)42/h12-17,21-25,29-30,37,40H,4-11H2,1-3H3,(H2,32,41)(H,33,42)(H,34,43)(H,35,38,44)/t15-,16+,17+,21+,22-,23+,24-,25-,29-,30-/m1/s1 | PDB
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| n/a | n/a | 64.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221456
(CHEMBL318947)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(F)cc1)C(N)=O |c:23| Show InChI InChI=1S/C23H25FN4O11/c1-36-16-15(32)21(28-7-6-13(30)27-23(28)35)38-17(16)18(19(25)33)39-22-14(31)11(29)8-12(37-22)20(34)26-10-4-2-9(24)3-5-10/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221477
(CHEMBL97536)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccc(OC)cc1)C(N)=O |c:23| Show InChI InChI=1S/C26H32N4O12/c1-38-13-5-3-12(4-6-13)7-9-28-23(36)15-11-14(31)17(33)25(40-15)42-21(22(27)35)20-19(39-2)18(34)24(41-20)30-10-8-16(32)29-26(30)37/h3-6,8,10-11,14,17-21,24-25,31,33-34H,7,9H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1 | PDB
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| n/a | n/a | 67.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221411
(CHEMBL94395)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(N)=O |c:23| Show InChI InChI=1S/C23H25N5O13/c1-38-16-15(32)21(27-7-6-13(30)26-23(27)35)40-17(16)18(19(24)33)41-22-14(31)11(29)8-12(39-22)20(34)25-9-2-4-10(5-3-9)28(36)37/h2-8,11,14-18,21-22,29,31-32H,1H3,(H2,24,33)(H,25,34)(H,26,30,35)/t11-,14-,15+,16-,17-,18+,21+,22+/m0/s1 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221486
(CHEMBL94445)Show SMILES [H][C@@]1(O[C@H]([C@H](OCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:28| Show InChI InChI=1S/C29H43N5O12/c1-4-5-6-12-43-23-20(42-3)21(45-27(23)34-11-10-18(36)33-29(34)41)22(24(30)38)46-28-19(37)16(35)13-17(44-28)26(40)32-15-9-7-8-14(2)31-25(15)39/h10-11,13-16,19-23,27-28,35,37H,4-9,12H2,1-3H3,(H2,30,38)(H,31,39)(H,32,40)(H,33,36,41)/t14-,15+,16+,19+,20-,21+,22-,23-,27-,28-/m1/s1 | PDB
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| n/a | n/a | 76.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221504
(CHEMBL318623)Show SMILES [H][C@@]1(O[C@H]([C@H](OCCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:30| Show InChI InChI=1S/C31H47N5O12/c1-4-5-6-7-8-14-45-25-22(44-3)23(47-29(25)36-13-12-20(38)35-31(36)43)24(26(32)40)48-30-21(39)18(37)15-19(46-30)28(42)34-17-11-9-10-16(2)33-27(17)41/h12-13,15-18,21-25,29-30,37,39H,4-11,14H2,1-3H3,(H2,32,40)(H,33,41)(H,34,42)(H,35,38,43)/t16-,17+,18+,21+,22-,23+,24-,25-,29-,30-/m1/s1 | PDB
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UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 80.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Translocase I |
Bioorg Med Chem Lett 13: 2833-6 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0JP8 |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50221197
(CHEMBL94803)Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1CC)C(N)=O |c:23| Show InChI InChI=1S/C25H30N4O11/c1-3-11-6-4-5-7-12(11)27-22(35)14-10-13(30)16(32)24(38-14)40-20(21(26)34)19-18(37-2)17(33)23(39-19)29-9-8-15(31)28-25(29)36/h4-10,13,16-20,23-24,30,32-33H,3H2,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against translocase I |
Bioorg Med Chem Lett 13: 2829-32 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WR7 |
More data for this
Ligand-Target Pair | |
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