PDB Entry (6g2b)

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Visualizer: MichelaNGLo

PDB ID: 6g2b Resolution: 1.61 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31285596 DOI: 10.1038/s41589-019-0310-x
Protein
Protein Name: Histone-lysine N-methyltransferase NSD3
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9BZ95 (NSD3_HUMAN) Organism: Homo sapiens
Gene Symbol: NSD3 Gene ID: 54904
Pocket Descriptors
Volume: 281.984 Depth: 10.6207
Hydrophobicity: 0.72 Drug Score: 0.428779
Pocket Similarity: Calculate
Ligand
Ligand Name:   4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
HET ID:   EH8 PubChem:   18771483
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cn1cnc(c1c1ccncc1)c1ccccc1
Standard InChI:   InChI=1S/C15H13N3/c1-18-11-17-14(12-5-3-2-4-6-12)15(18)13-7-9-16-10-8-13/h2-11H,1H3
Molecular Formula:   C15H13N3 Mol. Weight:   235.28381 Heavy Atoms:   18
Charge:   0 Is Chiral:   False logP:   3.1491
HBD:   0 HBA:   3 TPSA:   30.71
#Bonds:   20 #Rotatable Bonds:   2 Shape Complexity:   0.06666667
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-