PDB Entry (5zja) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 5zja | Resolution: 2.6 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 30265959 | DOI: 10.1016/j.ejmech.2018.09.040 | |
Protein |
|
Protein Name: D-amino-acid oxidase | |
Protein Class: OXIDOREDUCTASE | |
Uniprot ID/ACC: P14920 (OXDA_HUMAN) | Organism: Homo sapiens |
Gene Symbol: DAO | Gene ID: 1610 |
Pocket Descriptors | |
Volume: 848.448 | Depth: 38.5131 |
Hydrophobicity: 0.700873 | Drug Score: 0.648647 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: 5-chloro thiophene-2-carboxylic acid | ||
HET ID: 9E9 | PubChem: 95048 | |
DrugBank: - | ChEMBL: CHEMBL4280438 | |
Canonical SMILES: OC(=O)c1ccc(s1)Cl | ||
Standard InChI: InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) | ||
Molecular Formula: C5H3ClO2S | Mol. Weight: 162.59412 | Heavy Atoms: 9 |
Charge: 0 | Is Chiral: False | logP: 2.0997 |
HBD: 1 | HBA: 3 | TPSA: 65.54 |
#Bonds: 9 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |