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Compile Data Set for Download or QSAR

Found 56 hits of affinity data for UniProtKB/TrEMBL: Q05097   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598584
PNG
(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

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/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 /...)
CHEMBL5286977
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598583
PNG
(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/an/a 220n/an/an/an/an/an/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
PNG
(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/an/a 5.00E+3n/an/an/an/an/an/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 /...)
CHEMBL5268662
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598580
PNG
(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
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/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
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50591292
PNG
(CHEMBL5185255)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|
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n/an/a 2.80E+4n/an/an/an/an/an/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
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50591291
PNG
(CHEMBL5176709)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|
PDB

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UniChem
Article
PubMed
n/an/a 2.98E+4n/an/an/an/an/an/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
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50591290
PNG
(CHEMBL5186251)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.17E+4n/an/an/an/an/an/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
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50034081
PNG
(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
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n/an/a 5.00E+4n/an/an/an/an/an/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
PNG
(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

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.55E+4n/an/an/an/an/an/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 /...)
BDBM50591293
PNG
(CHEBI:355715 | CHEMBL157265)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O |r|
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PDB
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PubMed
n/an/a 6.19E+4n/an/an/an/an/an/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
3D
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598581
PNG
(CHEMBL5195151)
Show SMILES O[C@H]1[C@H](Oc2ccccc2)O[C@H](C2CO2)[C@H](O)[C@@H]1O |r|
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+4n/an/an/an/an/an/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
PNG
(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
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n/an/a 7.00E+4n/an/an/an/an/an/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
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL3797852
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50034081
PNG
(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

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Article
PubMed
n/an/a 1.13E+5n/an/an/an/an/an/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
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598582
PNG
(CHEMBL5187699)
Show SMILES O[C@H]1[C@H](Oc2ccccc2)O[C@@H](C2CO2)[C@H](O)[C@@H]1O |r|
PDB

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n/an/a>3.00E+6n/an/an/an/an/an/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 /...)
BDBM50598575
PNG
(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

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UniChem
n/an/an/a 5.80E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL3589830
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 4.20E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5287952
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 82n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5288501
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/an/a 180n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5286977
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 140n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598585
PNG
(CHEMBL3800313)
Show SMILES C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/a 1.60E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL3798822
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 1.70E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL3797852
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 100n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505616
PNG
(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

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UniChem
n/an/an/a 3.30E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50242419
PNG
(6-Deoxy-L-galactose | 6-deoxy-L-galactopyranoseL-f...)
Show SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
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n/an/an/a 2.90E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505617
PNG
(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

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n/an/an/a 430n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50166886
PNG
(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
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n/an/an/a 7.10E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL3590185
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 212n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505627
PNG
(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

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PC sid
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n/an/an/a 1.10E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505611
PNG
(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

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PC cid
PC sid
UniChem
n/an/an/a 1.80E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5277438
PNG
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/an/a 290n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50423644
PNG
(GALACTOSE)
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
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n/an/an/a 8.80E+4n/an/an/an/an/a


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Ligand-Target Pair
3D
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50423644
PNG
(GALACTOSE)
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
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n/an/an/a 8.80E+4n/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5281473
PNG
PDB

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n/an/an/a 2.11E+4n/an/an/an/an/a


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More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5274448
PNG
PDB

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n/an/an/a 2.80E+4n/an/an/an/an/a


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More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
CHEMBL5277970
PNG
PDB

KEGG

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n/an/an/a 1.41E+4n/an/an/an/an/a


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More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50423644
PNG
(GALACTOSE)
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
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n/an/an/a 8.75E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598576
PNG
(CHEMBL3590184)
Show SMILES OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r|
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n/an/an/a 6.30E+3n/an/an/an/an/a


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505617
PNG
(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
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n/an/an/a 430n/an/an/an/an/a


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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
PNG
(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
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n/an/an/a 71n/an/an/an/an/a


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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
PNG
(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|
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n/an/an/a 1.08E+4n/an/an/an/an/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
PNG
(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|
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n/an/an/a 5.60E+3n/an/an/an/an/a


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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
PNG
(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|
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n/an/an/a 12n/an/an/an/an/a


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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
PNG
(CHEMBL3590184)
Show SMILES OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r|
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n/an/an/a 6.30E+3n/an/an/an/an/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
3D Structure (crystal)
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50598575
PNG
(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|
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n/an/an/a 5.80E+3n/an/an/an/an/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
PNG
(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

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n/an/an/a 3.70E+4n/an/an/an/an/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
PNG
(Galactose)
Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
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
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n/an/an/a 8.75E+4n/an/an/an/an/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
PNG
(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|
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n/an/an/a 3.20E+4n/an/an/an/an/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
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