PDB Entry (6snd) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6snd | Resolution: 3.1 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31653484 | DOI: 10.1016/j.chom.2019.09.016 | |
Protein |
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Protein Name: LN01 light chain | |
Protein Class: ANTIBODY | |
Uniprot ID/ACC: - | Organism: Homo sapiens |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 383.744 | Depth: 29.7047 |
Hydrophobicity: 0.670139 | Drug Score: 0.0190969 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: dodecyl 2-(trimethylammonio)ethyl phosphate | ||
HET ID: DPV | PubChem: 644308 | |
DrugBank: - | ChEMBL: CHEMBL229565 | |
Canonical SMILES: CCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-] | ||
Standard InChI: InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3 | ||
Molecular Formula: C17H38NO4P | Mol. Weight: 351.46167 | Heavy Atoms: 23 |
Charge: 0 | Is Chiral: False | logP: 5.1853 |
HBD: 0 | HBA: 4 | TPSA: 68.4 |
#Bonds: 22 | #Rotatable Bonds: 16 | Shape Complexity: 1.0 |
Stereocomplexity: 0.05882353 | Ligand Type: Small Molecule |
Binding Affinity |
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