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PDB code 3T3E

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
Muscle glycogen phosphorylase

  (819/841 = 97%)
(Homo sapiens)
BDBM50386288
PNG
(CHEMBL2041081)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
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PDB
Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of glycogen phosphorylase b


Eur J Med Chem 54: 740-9 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM50386288
PNG
(CHEMBL2041081)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b using Glc-1-P as substrate


Eur J Med Chem 54: 740-9 (2012)

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