PDB Entry (6rbi)

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Visualizer: MichelaNGLo 6rbi_JX8_805_A
PDB ID: 6rbi Resolution: 2.21 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Lysine-specific demethylase 5B
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9UGL1 (KDM5B_HUMAN) Organism: Homo sapiens
Gene Symbol: KDM5B Gene ID: 10765
Pocket Descriptors
Volume: 1031.42 Depth: 21.0612
Hydrophobicity: 0.658416 Drug Score: 0.704688
Pocket Similarity: Calculate
Ligand
Ligand Name:   5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
HET ID:   JX8 PubChem:   135921708
DrugBank:   - ChEMBL:   CHEMBL1406064
Canonical SMILES:   Oc1ccc(c2c1nccc2)c1nnn[nH]1
Standard InChI:   InChI=1S/C10H7N5O/c16-8-4-3-7(10-12-14-15-13-10)6-2-1-5-11-9(6)8/h1-5,16H,(H,12,13,14,15)
Molecular Formula:   C10H7N5O Mol. Weight:   213.19548 Heavy Atoms:   16
Charge:   0 Is Chiral:   False logP:   1.1205
HBD:   2 HBA:   5 TPSA:   87.58
#Bonds:   19 #Rotatable Bonds:   1 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
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