Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50016948 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 |
|---|
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598584
(CHEMBL3590186)Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)c2cn(nn2)[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)n2cc(nn2)[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598583
(CHEMBL5175379)Show SMILES OC[C@H]1O[C@@H](OCCCc2cn(CCn3cc(nn3)[C@@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)n3cc(nn3)[C@@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)n3cc(CCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505612
(CHEMBL4548572)Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505621
(CHEMBL4451277)Show SMILES C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO5/c1-10-14(19)16(21)15(20)12(22-10)9-17-13(18)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t10-,12+,14+,15+,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505612
(CHEMBL4548572)Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505616
(CHEMBL3590172)Show SMILES CO[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/C16H25NO7S/c1-8-5-9(2)15(10(3)6-8)25(21,22)17-7-11-12(18)13(19)14(20)16(23-4)24-11/h5-6,11-14,16-20H,7H2,1-4H3/t11-,12-,13+,14+,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505621
(CHEMBL4451277)Show SMILES C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO5/c1-10-14(19)16(21)15(20)12(22-10)9-17-13(18)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t10-,12+,14+,15+,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598579
(CHEMBL5206789)Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)N\N=C\c2ccc(Oc3ccc(\C=N\NC(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4)cc3)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598580
(CHEMBL4464291)Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sortase
(Streptococcus mutans) | BDBM50598570
(CHEMBL5179604)Show SMILES [H][C@@]1(O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 |r| | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505627
(CHEMBL4450053)Show SMILES CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H25NO8/c1-24-11-6-4-10(8-12(11)25-2)5-7-14(20)19-9-13-15(21)16(22)17(23)18(26-3)27-13/h4-8,13,15-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t13-,15-,16+,17+,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50598585
(CHEMBL3800313)Show SMILES C[C@@H]1O[C@H](CO)[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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50598572
(CHEMBL5186372)Show SMILES [H][C@@]12CC[C@H](C(C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@]([H])(CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505611
(CHEMBL3590173)Show SMILES CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO6/c1-22-16-15(21)14(20)13(19)11(23-16)9-17-12(18)8-7-10-5-3-2-4-6-10/h2-8,11,13-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t11-,13-,14+,15+,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50034081
(CHEBI:55507 | CHEMBL467773)Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598578
(CHEMBL5202123)Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598581
(CHEMBL5195151)Show SMILES O[C@H]1[C@H](Oc2ccccc2)O[C@H](C2CO2)[C@H](O)[C@@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50486938
(CHEBI:18330 | Isovitexin)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50243888
(CHEMBL442951 | methyl beta-D-galactopyranoside | m...)Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sortase family protein
(Staphylococcus aureus) | BDBM50598571
(CHEMBL5186791)Show SMILES C[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r| | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Lectin A
(Photorhabdus laumondii subsp. laumondii (strain DS...) | BDBM50598573
(CHEBI:16634 | RAFFINOSE | Raffinose)Show SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598582
(CHEMBL5187699)Show SMILES O[C@H]1[C@H](Oc2ccccc2)O[C@@H](C2CO2)[C@H](O)[C@@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Type 1 fimbrin D-mannose specific adhesin
(Escherichia coli (strain K12)) | BDBM50467903
(CHEBI:28729 | CHEMBL365590)Show SMILES OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Type 1 fimbrin D-mannose specific adhesin
(Escherichia coli (strain K12)) | BDBM50166886
(CHEMBL195368 | methyl alpha-D-mannoside)Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505621
(CHEMBL4451277)Show SMILES C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO5/c1-10-14(19)16(21)15(20)12(22-10)9-17-13(18)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t10-,12+,14+,15+,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
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 | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505621
(CHEMBL4451277)Show SMILES C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO5/c1-10-14(19)16(21)15(20)12(22-10)9-17-13(18)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t10-,12+,14+,15+,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50598585
(CHEMBL3800313)Show SMILES C[C@@H]1O[C@H](CO)[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 | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505616
(CHEMBL3590172)Show SMILES CO[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/C16H25NO7S/c1-8-5-9(2)15(10(3)6-8)25(21,22)17-7-11-12(18)13(19)14(20)16(23-4)24-11/h5-6,11-14,16-20H,7H2,1-4H3/t11-,12-,13+,14+,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505611
(CHEMBL3590173)Show SMILES CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21NO6/c1-22-16-15(21)14(20)13(19)11(23-16)9-17-12(18)8-7-10-5-3-2-4-6-10/h2-8,11,13-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t11-,13-,14+,15+,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Type 1 fimbrin D-mannose specific adhesin
(Escherichia coli (strain K12)) | BDBM50347460
(CHEMBL1170455)Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50166886
(CHEMBL195368 | methyl alpha-D-mannoside)Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598579
(CHEMBL5206789)Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)N\N=C\c2ccc(Oc3ccc(\C=N\NC(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4)cc3)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598578
(CHEMBL5202123)Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598577
(CHEMBL5192743)Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598576
(CHEMBL3590184)Show SMILES OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598575
(CHEMBL5198493)Show SMILES OC[C@H]1O[C@@H](Oc2ccc(NC(=O)Cn3cc(CO)nn3)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598574
(CHEMBL5181737)Show SMILES OC[C@H]1O[C@@H](C\C(=C/C(O)=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM228805
(Galactose)Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.75E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50598573
(CHEBI:16634 | RAFFINOSE | Raffinose)Show SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
PA-I galactophilic lectin
(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01039
BindingDB Entry DOI: 10.7270/Q2NS0ZZK |
More data for this
Ligand-Target Pair | |
Search and Browse
