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PDB code 1QRE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Carbonic anhydrase

  (247/247 = 100%)
(Methanosarcina thermophila)
BDBM26986
PNG
(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
MMDB

UniProtKB/SwissProt

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KEGG
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PC sid
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Article
PubMed
6.70E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against Zn-Cam (Methanosarcina thermophila)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase

  (247/247 = 100%)
(Methanosarcina thermophila)
BDBM26986
PNG
(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
MMDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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AffyNet 
PDB
Article
PubMed
4.20E+7n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase

  (247/247 = 100%)
(Methanosarcina thermophila)
BDBM26986
PNG
(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
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


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AffyNet 
PDB
Article
PubMed
4.20E+7n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 81, Napoli, Italy.

Curated by ChEMBL


Assay Description
Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase

  (247/247 = 100%)
(Methanosarcina thermophila)
BDBM26986
PNG
(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
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
PDB
Article
PubMed
4.20E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against Zn-Cam (Methanosarcina thermophila)


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

Search BindingMOAD for More Affinity Data:

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