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PDB code 3RDH

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein zeta/delta

  (245/245 = 100%)
(Homo sapiens)
BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)
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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged 14-3-3-zeta (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS40...


J Med Chem 61: 3755-3778 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00574
BindingDB Entry DOI: 10.7270/Q2RB7781
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein zeta/delta

  (245/245 = 100%)
(Homo sapiens)
BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)
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Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of PRAS40 binding to human GST-tagged 14-3-3 protein zeta/delta expressed in Escherichia coli BL21(DE3) by ELISA


J Med Chem 61: 1276-1284 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01780
BindingDB Entry DOI: 10.7270/Q2B27XQN
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