PDB Entry (6h0w)

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Visualizer: MichelaNGLo

PDB ID: 6h0w Resolution: 1.23 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
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: 1647.74 Depth: 31.3815
Hydrophobicity: 0.657825 Drug Score: 0.959259
Pocket Similarity: Calculate
Ligand
Ligand Name:   (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
HET ID:   FHW PubChem:   145864177
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NNC(=O)[C@@H](c1n[nH]nn1)Cc1ccccc1
Standard InChI:   InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1
Molecular Formula:   C10H12N6O Mol. Weight:   232.24188 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   0.6071
HBD:   3 HBA:   6 TPSA:   109.58
#Bonds:   20 #Rotatable Bonds:   5 Shape Complexity:   0.2
Stereocomplexity:   0.1 Ligand Type:   Small Molecule
Binding Affinity
-