PDB Entry (3nth) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3nth | Resolution: 2.8 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 20713507 | DOI: 10.1101/gad.1956010 | |
Protein |
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Protein Name: Maternal protein tudor | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: P25823 (TUD_DROME) | Organism: Drosophila melanogaster |
Gene Symbol: tud | Gene ID: 37417 |
Pocket Descriptors | |
Volume: 332.864 | Depth: 20.6184 |
Hydrophobicity: 0.76378 | Drug Score: 0.0629989 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N3, N4-DIMETHYLARGININE | ||
HET ID: 2MR | PubChem: 169148 | |
DrugBank: DB02302 | ChEMBL: CHEMBL1229966 | |
Canonical SMILES: CN/C(=NC)/NCCC[C@@H](C(=O)O)N | ||
Standard InChI: InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 | ||
Molecular Formula: C8H18N4O2 | Mol. Weight: 202.25412 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 0.4554 |
HBD: 4 | HBA: 6 | TPSA: 99.74 |
#Bonds: 14 | #Rotatable Bonds: 7 | Shape Complexity: 0.75 |
Stereocomplexity: 0.125 | Ligand Type: Aubergine-R13me2s |
Binding Affinity |
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