Affinity Data by PDB ID

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PDB code 1QRE

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase (247/247 = 100%)^† (Methanosarcina thermophila)	BDBM26986 (CHEMBL363707 \| HCO3- \| SODIUM BICARBONATE \| bicarb...) Show SMILES OC([O-])=O Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biochimica delle Proteine - CNR Curated by ChEMBL					Assay Description Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay				Bioorg Med Chem Lett 23: 4067-71 (2013) Article DOI: 10.1016/j.bmcl.2013.05.063 BindingDB Entry DOI: 10.7270/Q2HX1F27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (247/247 = 100%)^† (Methanosarcina thermophila)	BDBM26986 (CHEMBL363707 \| HCO3- \| SODIUM BICARBONATE \| bicarb...) Show SMILES OC([O-])=O Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assay				Bioorg Med Chem 23: 4405-9 (2015) Article DOI: 10.1016/j.bmc.2015.06.021 BindingDB Entry DOI: 10.7270/Q2JD4ZJ0
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (247/247 = 100%)^† (Methanosarcina thermophila)	BDBM26986 (CHEMBL363707 \| HCO3- \| SODIUM BICARBONATE \| bicarb...) Show SMILES OC([O-])=O Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Italy; Universit£ degliStudi di Firenze Curated by ChEMBL					Assay Description Inhibition of Methanosarcina thermophila recombinant carbonic anhydrase gamma assessed as inhibition of CO2 hydration preincubated for 15 mins by Lin...				Bioorg Med Chem 25: 575-580 (2017) Article DOI: 10.1016/j.bmc.2016.11.021 BindingDB Entry DOI: 10.7270/Q2M047FF
Italy; Universit£ degliStudi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (247/247 = 100%)^† (Methanosarcina thermophila)	BDBM26986 (CHEMBL363707 \| HCO3- \| SODIUM BICARBONATE \| bicarb...) Show SMILES OC([O-])=O Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory constant against Zn-Cam (Methanosarcina thermophila)				Bioorg Med Chem Lett 14: 4563-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.073 BindingDB Entry DOI: 10.7270/Q2H995ZD
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (247/247 = 100%)^† (Methanosarcina thermophila)	BDBM26986 (CHEMBL363707 \| HCO3- \| SODIUM BICARBONATE \| bicarb...) Show SMILES OC([O-])=O Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory constant against Zn-Cam (Methanosarcina thermophila)				Bioorg Med Chem Lett 14: 4563-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.073 BindingDB Entry DOI: 10.7270/Q2H995ZD
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output