Found 130 hits Enz. Inhib. hit(s) with all data for entry = 50004480 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.36 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 4.71 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.71 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 5.98 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 7.07 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 9.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50350464
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50350464
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 14.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 14.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 14.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 18.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50350464
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 23.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 24.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 29.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 31.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 32.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 45.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 45.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50350464
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 46.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 47.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 47.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50350464
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 49.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 52.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 52.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2B
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50422689
(640/359 | CEFUROXIME)Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 54.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2B |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 56.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50483324
(CHEBI:51257 | Faropenem)Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 59.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 1A
(Streptococcus pneumoniae serotype 4 (strain ATCC B...) | BDBM50022787
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 59.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50213266
(CHEBI:471744 | Imipenem | MK-0787)Show SMILES [H][C@]12CC(SCCNC=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |r,c:9| Show InChI InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 60.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hershey Medical Center
Curated by ChEMBL
| Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X |
Antimicrob Agents Chemother 53: 2176-80 (2009)
Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B |
More data for this Ligand-Target Pair | |