Compile Data Set for Download or QSAR

Found 29 hits of affinity data for UniProtKB/TrEMBL: Q05097   

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| Show InChI	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| Show InChI	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
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| Show InChI	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| Show InChI	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)
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50591292 (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| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	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
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50591291 (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| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+4	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
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50591290 (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| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.17E+4	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
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| Show InChI	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 /...)	BDBM50591293 (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| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.19E+4	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				3D Structure (crystal)
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| Show InChI	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
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)
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	1.13E+5	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
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| Show InChI	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
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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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 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	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| Show InChI	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 /...)	BDBM50592166 (CHEMBL5188209) Show SMILES OC[C@H]1O[C@@H](OC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.13E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114457 BindingDB Entry DOI: 10.7270/Q2TX3KB1
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50034083 (CHEMBL3358629) Show SMILES OC[C@H]1O[C@@H](OCCOCCOCCn2cc(CO)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H27N3O9/c19-8-10-7-18(17-16-10)1-2-24-3-4-25-5-6-26-15-14(23)13(22)12(21)11(9-20)27-15/h7,11-15,19-23H,1-6,8-9H2/t11-,12+,13+,14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon 1& VetAgro Sup Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa LecA by ITC method				J Med Chem 57: 10275-89 (2014) Article DOI: 10.1021/jm500038p BindingDB Entry DOI: 10.7270/Q2251KSP
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50034082 (CHEMBL3358626) Show SMILES C[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3c4Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc3cc(c4)C(C)(C)C)c7OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c6OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c5OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C104H156N12O35/c1-61-81(120)85(124)89(128)97(148-61)140-34-30-136-26-22-132-18-14-113-50-74(105-109-113)57-144-93-62-38-64-44-71(102(5,6)7)46-66(94(64)145-58-75-51-114(110-106-75)15-19-133-23-27-137-31-35-141-98-90(129)86(125)82(121)78(54-117)149-98)40-68-48-73(104(11,12)13)49-69(96(68)147-60-77-53-116(112-108-77)17-21-135-25-29-139-33-37-143-100-92(131)88(127)84(123)80(56-119)151-100)41-67-47-72(103(8,9)10)45-65(39-63(93)43-70(42-62)101(2,3)4)95(67)146-59-76-52-115(111-107-76)16-20-134-24-28-138-32-36-142-99-91(130)87(126)83(122)79(55-118)150-99/h42-53,61,78-92,97-100,117-131H,14-41,54-60H2,1-13H3/t61-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon 1& VetAgro Sup Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa LecA by ITC method				J Med Chem 57: 10275-89 (2014) Article DOI: 10.1021/jm500038p BindingDB Entry DOI: 10.7270/Q2251KSP
					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
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	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon 1& VetAgro Sup Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa LecA by ITC method				J Med Chem 57: 10275-89 (2014) Article DOI: 10.1021/jm500038p BindingDB Entry DOI: 10.7270/Q2251KSP
					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	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon 1& VetAgro Sup Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa LecA by ITC method				J Med Chem 57: 10275-89 (2014) Article DOI: 10.1021/jm500038p BindingDB Entry DOI: 10.7270/Q2251KSP
					More data for this Ligand-Target Pair				3D Structure (crystal)