Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
  - Host Guest Systems
  - Prot-Lig Validation Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

PDB code 4LCE

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-terminal-binding protein 1 (CtBP1) (326/326 = 100%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) Show SMILES CSCCC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.26E+6	n/a	n/a	n/a	7.5	n/a
University of Massachusetts Medical School					Assay Description Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ...				ACS Chem Biol 10: 1118-27 (2015)
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 2 (CtBP2) (289/326 = 89%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) Show SMILES CSCCC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.96E+6	n/a	n/a	n/a	8.5	n/a
University of Massachusetts Medical School					Assay Description Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ...				ACS Chem Biol 10: 1118-27 (2015)
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)

Identical Ligands in BindingDB

Found 2 hits Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
C-terminal-binding protein 1 (CtBP1) (326/326 = 100%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-16	32.2	-47.3	2.85	7.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 2 (CtBP2) (289/326 = 89%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-14	n/a	-14	2.49	8.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 10: 1118-27 (2015)

Similar Ligands in BindingDB^*

Found 2 hits Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
C-terminal-binding protein 1 (CtBP1) (326/326 = 100%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-16	32.2	-47.3	2.85	7.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 2 (CtBP2) (289/326 = 89%)^† (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-14	n/a	-14	2.49	8.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 10: 1118-27 (2015)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

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