PDB Entry (6etu)

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Visualizer: MichelaNGLo

PDB ID: 6etu Resolution: 1.33 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31475772 DOI: 10.1002/cmdc.201900441
Protein
Protein Name: Lysine-specific demethylase 4D
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q6B0I6 (KDM4D_HUMAN) Organism: Homo sapiens
Gene Symbol: KDM4D Gene ID: 55693
Pocket Descriptors
Volume: 1743.17 Depth: 26.2968
Hydrophobicity: 0.648148 Drug Score: 0.930651
Pocket Similarity: Calculate
Ligand
Ligand Name:   [[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
HET ID:   BWZ PubChem:   137332074
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]NC(=O)c1cccc(c1)c1nn[nH]n1
Standard InChI:   InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Molecular Formula:   C8H9N6O+ Mol. Weight:   205.19666 Heavy Atoms:   15
Charge:   1 Is Chiral:   False logP:   -0.8557
HBD:   3 HBA:   5 TPSA:   111.2
#Bonds:   20 #Rotatable Bonds:   3 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-