PDB Entry (3omc) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3omc | Resolution: 1.77 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 20937909 | DOI: 10.1073/pnas.1013106107 | |
Protein |
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Protein Name: Staphylococcal nuclease domain-containing protein 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q7KZF4 (SND1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: SND1 | Gene ID: 27044 |
Pocket Descriptors | |
Volume: 192.896 | Depth: 14.6876 |
Hydrophobicity: 0.763158 | Drug Score: 0.459247 |
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: PIWIL1-R4me2s |
Binding Affinity |
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