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PDB code 4YWP

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))
BDBM50108105
PNG
(CHEBI:17992 | SUCROSE | Sucrose)
Show SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
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KEGG
PC cid
PC sid
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Similars

PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to carbonic anhydrase 2 (unknown origin)


ACS Med Chem Lett 9: 657-661 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (250/257 = 97%)
(Homo sapiens (Human))
BDBM50108105
PNG
(CHEBI:17992 | SUCROSE | Sucrose)
Show SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
PDB
MMDB

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KEGG

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UniProtKB/TrEMBL

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antibodypedia
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KEGG
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PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 4.50E+8n/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human CA2


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
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