PDB Entry (6g2c) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6g2c | Resolution: 1.76 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31285596 | DOI: 10.1038/s41589-019-0310-x | |
Protein |
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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 |
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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 |
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