PDB Entry (6g2c)

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Visualizer: MichelaNGLo

PDB ID: 6g2c Resolution: 1.76 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: 289.536 Depth: 10.6583
Hydrophobicity: 0.724638 Drug Score: 0.463331
Pocket Similarity: Calculate
Ligand
Ligand Name:   3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
HET ID:   EHT PubChem:   138115339
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1onc(c1c1ncn(c1c1ccncc1)C)C
Standard InChI:   InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3
Molecular Formula:   C14H14N4O Mol. Weight:   254.28716 Heavy Atoms:   19
Charge:   0 Is Chiral:   False logP:   2.7539
HBD:   0 HBA:   5 TPSA:   56.74
#Bonds:   21 #Rotatable Bonds:   2 Shape Complexity:   0.21428572
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-