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PDB code 1G4O

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

  (258/259 > 99%)
(Homo sapiens (human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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PC cid
PC sid
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PDB
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)

  (259/259 = 100%)
(Homo sapiens (human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

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PC cid
PC sid
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PDB
PubMed
n/an/an/a 5.60n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


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