PDB Entry (3omc)

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Visualizer: MichelaNGLo

PDB ID: 3omc Resolution: 1.77 Å Exp. Method: X-RAY DIFFRACTION
PMID: 20937909 DOI: 10.1073/pnas.1013106107
Protein
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
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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