Found 212 hits with Last Name = 'titz' and Initial = 'a' 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 |
Elastase
(Pseudomonas aeruginosa) | BDBM50614323
(CHEMBL4754924) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| UniChem
| | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Elastase
(Pseudomonas aeruginosa) | BDBM50251742
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acyl-homoserine lactone acylase PvdQ
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM113772
(2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2...)Show InChI InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Acyl-homoserine lactone acylase PvdQ
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM113770
(NS2028 (1))Show InChI InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| | n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Acyl-homoserine lactone acylase PvdQ
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50257750
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591439
(CHEMBL5176327)Show SMILES C[C@@H]1O[C@H](NC(=O)c2cccc(c2)-c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591431
(CHEMBL5188892)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591443
(CHEMBL5177736)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591433
(CHEMBL5205246)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591438
(CHEMBL5192823)Show SMILES C[C@@H]1O[C@H](NC(=O)c2cccc(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591432
(CHEMBL5195342)Show SMILES C[C@@H]1O[C@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591436
(CHEMBL5189845)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591434
(CHEMBL5208230)Show SMILES COc1ccc(cc1)C(=O)N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50614327
(CHEMBL5286977) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| UniChem
| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505620
(CHEMBL4550640)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H21NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,17-23H,11H2,1H3/t12-,15+,17+,18+,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591441
(CHEMBL5190739)Show SMILES CC(C)C(=O)N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505626
(CHEMBL4461208)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2sccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H19NO6S2/c1-6-3-4-20-12(6)21(17,18)13-5-8-10(15)11(16)9(14)7(2)19-8/h3-4,7-11,13-16H,5H2,1-2H3/t7-,8+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agar... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00856 BindingDB Entry DOI: 10.7270/Q2FT8QN5 |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591435
(CHEMBL5181696)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591437
(CHEMBL5204670)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505617
(CHEMBL1234282)Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505608
(CHEMBL4451868)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H23NO6S2/c1-12-5-3-4-6-14(12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591444
(CHEMBL5199451)Show SMILES C[C@@H]1O[C@H](NC(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505596
(CHEMBL4439075)Show SMILES COc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H23NO7S2/c1-12-18(22)20(24)19(23)16(28-12)11-21-30(25,26)17-10-9-15(29-17)8-5-13-3-6-14(27-2)7-4-13/h3-4,6-7,9-10,12,16,18-24H,11H2,1-2H3/t12-,16+,18+,19+,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505597
(CHEMBL4473234)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(cc2)C2CC2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H25NO6S2/c1-13-20(24)22(26)21(25)18(29-13)12-23-31(27,28)19-11-10-17(30-19)9-4-14-2-5-15(6-3-14)16-7-8-16/h2-3,5-6,10-11,13,16,18,20-26H,7-8,12H2,1H3/t13-,18+,20+,21+,22+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505595
(CHEMBL4451796)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2cccc(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H23NO6S2/c1-12-4-3-5-14(10-12)6-7-15-8-9-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-5,8-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591442
(CHEMBL5188341)Show SMILES C[C@@H]1O[C@H](NC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01373 BindingDB Entry DOI: 10.7270/Q28919VH |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505610
(CHEMBL4461092)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CC(C)(C)O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H23NO7S2/c1-9-13(18)15(20)14(19)11(24-9)8-17-26(22,23)12-5-4-10(25-12)6-7-16(2,3)21/h4-5,9,11,13-15,17-21H,8H2,1-3H3/t9-,11+,13+,14+,15+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505606
(CHEMBL4551638)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)cs2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H19NO6S2/c1-6-3-9(20-5-6)21(17,18)13-4-8-11(15)12(16)10(14)7(2)19-8/h3,5,7-8,10-16H,4H2,1-2H3/t7-,8+,10+,11+,12+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505618
(CHEMBL4462845)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H21NO7S/c1-6-4-10(7(2)20-6)22(18,19)14-5-9-12(16)13(17)11(15)8(3)21-9/h4,8-9,11-17H,5H2,1-3H3/t8-,9+,11+,12+,13+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505604
(CHEMBL4574479)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)sc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H21NO6S2/c1-6-4-10(8(3)21-6)22(18,19)14-5-9-12(16)13(17)11(15)7(2)20-9/h4,7,9,11-17H,5H2,1-3H3/t7-,9+,11+,12+,13+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505593
(CHEMBL4453855)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H25NO6S/c1-8-5-9(2)16(10(3)6-8)24(21,22)17-7-12-14(19)15(20)13(18)11(4)23-12/h5-6,11-15,17-20H,7H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505609
(CHEMBL4526041)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H23NO6S2/c1-12-3-5-14(6-4-12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505607
(CHEMBL4442247)Show SMILES CCc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H21NO6S2/c1-3-8-4-5-10(21-8)22(18,19)14-6-9-12(16)13(17)11(15)7(2)20-9/h4-5,7,9,11-17H,3,6H2,1-2H3/t7-,9+,11+,12+,13+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505602
(CHEMBL4434928)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cnoc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H18N2O7S/c1-5-8(4-12-20-5)21(17,18)13-3-7-10(15)11(16)9(14)6(2)19-7/h4,6-7,9-11,13-16H,3H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505598
(CHEMBL4560431)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H25NO6S2/c1-14-19(23)21(25)20(24)17(28-14)13-22-30(26,27)18-12-11-16(29-18)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,17,19-25H,5,9,13H2,1H3/t14-,17+,19+,20+,21+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505613
(CHEMBL4441817)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)7(18-6)5-12-20(16,17)8-3-2-4-19-8/h2-4,6-7,9-15H,5H2,1H3/t6-,7+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505592
(CHEMBL4451328)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(\C=C/c3ccccc3)s2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H23NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-10,12,15,17-23H,11H2,1H3/b8-7-/t12-,15+,17+,18+,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505601
(CHEMBL4442822)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H17NO7S/c1-6-9(13)11(15)10(14)7(19-6)5-12-20(16,17)8-3-2-4-18-8/h2-4,6-7,9-15H,5H2,1H3/t6-,7+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505588
(CHEMBL4457951)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H18F3NO7S/c1-5-3-8(12(23-5)13(14,15)16)25(21,22)17-4-7-10(19)11(20)9(18)6(2)24-7/h3,6-7,9-11,17-20H,4H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505605
(CHEMBL4466447)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C)s2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H19NO6S2/c1-6-3-4-9(20-6)21(17,18)13-5-8-11(15)12(16)10(14)7(2)19-8/h3-4,7-8,10-16H,5H2,1-2H3/t7-,8+,10+,11+,12+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505591
(CHEMBL4459505)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)s2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H16BrNO6S2/c1-5-9(14)11(16)10(15)6(19-5)4-13-21(17,18)8-3-2-7(12)20-8/h2-3,5-6,9-11,13-16H,4H2,1H3/t5-,6+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505624
(CHEMBL4593306)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccsc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)8(18-6)4-12-20(16,17)7-2-3-19-5-7/h2-3,5-6,8-15H,4H2,1H3/t6-,8+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505617
(CHEMBL1234282)Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01214 BindingDB Entry DOI: 10.7270/Q2T72NDG |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505617
(CHEMBL1234282)Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01214 BindingDB Entry DOI: 10.7270/Q2T72NDG |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505603
(CHEMBL4468528)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cn(C)nc2C)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H21N3O6S/c1-6-9(5-15(3)14-6)22(19,20)13-4-8-11(17)12(18)10(16)7(2)21-8/h5,7-8,10-13,16-18H,4H2,1-3H3/t7-,8+,10+,11+,12+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50548436
(CHEMBL4177464)Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC#C)CC3)c(F)cc2c1=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agar... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00856 BindingDB Entry DOI: 10.7270/Q2FT8QN5 |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505590
(CHEMBL4585771)Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccn(C)n2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H19N3O6S/c1-6-9(15)11(17)10(16)7(20-6)5-12-21(18,19)8-3-4-14(2)13-8/h3-4,6-7,9-12,15-17H,5H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24... |
J Med Chem 62: 9201-9216 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591295
(CHEMBL5186734)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01214 BindingDB Entry DOI: 10.7270/Q2T72NDG |
More data for this Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50591296
(CHEMBL5195008)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r| | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01214 BindingDB Entry DOI: 10.7270/Q2T72NDG |
More data for this Ligand-Target Pair | |