PDB Entry (2xml)

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Visualizer: MichelaNGLo

PDB ID: 2xml Resolution: 2.55 Å Exp. Method: X-RAY DIFFRACTION
PMID: 21914792 DOI: 10.1074/jbc.M111.283689
Protein
Protein Name: Lysine-specific demethylase 4C
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9H3R0 (KDM4C_HUMAN) Organism: Homo sapiens
Gene Symbol: KDM4C Gene ID: 23081
Pocket Descriptors
Volume: 488.0 Depth: 18.0541
Hydrophobicity: 0.657143 Drug Score: 0.145279
Pocket Similarity: Calculate
Ligand
Ligand Name:   N-OXALYLGLYCINE
HET ID:   OGA PubChem:   3080614
DrugBank:   - ChEMBL:   CHEMBL90852
Canonical SMILES:   OC(=O)CNC(=O)C(=O)O
Standard InChI:   InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
Molecular Formula:   C4H5NO5 Mol. Weight:   147.0862 Heavy Atoms:   10
Charge:   0 Is Chiral:   False logP:   -1.3373
HBD:   3 HBA:   6 TPSA:   103.7
#Bonds:   9 #Rotatable Bonds:   4 Shape Complexity:   0.25
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
Database Name Value
PDBBind IC50 : 500000 nM