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PDB code 5SZ6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Carbonic anhydrase 2

  (250/257 = 97%)
(Homo sapiens (human))
BDBM210937
PNG
(4-(3-formylphenyl)-benzenesulfonamide (4e))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1
Show InChI InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9 (CA IX)

  (257/257 = 100%)
(Homo sapiens (Human))
BDBM210937
PNG
(4-(3-formylphenyl)-benzenesulfonamide (4e))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1
Show InChI InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
99n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

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