PDB Entry (6h0y)

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PDB ID: 6h0y Resolution: 1.21 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: 893.312 Depth: 18.8
Hydrophobicity: 0.666667 Drug Score: 0.685843
Pocket Similarity: Calculate
Ligand
Ligand Name:   (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
HET ID:   FHZ PubChem:   145864180
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NNC(=O)[C@@H](c1n[nH]nn1)Cc1ccc(cc1)OC
Standard InChI:   InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1
Molecular Formula:   C11H14N6O2 Mol. Weight:   262.26785 Heavy Atoms:   19
Charge:   0 Is Chiral:   True logP:   0.6157
HBD:   3 HBA:   7 TPSA:   118.81
#Bonds:   22 #Rotatable Bonds:   6 Shape Complexity:   0.27272728
Stereocomplexity:   0.09090909 Ligand Type:   Small Molecule
Binding Affinity
-