PDB Entry (2rjc) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2rjc | Resolution: 2.0 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 18026117 | DOI: 10.1038/nsmb1340 | |
Protein |
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Protein Name: Lethal(3)malignant brain tumor-like protein 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9Y468 (LMBL1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: L3MBTL1 | Gene ID: 26013 |
Pocket Descriptors | |
Volume: 73.536 | Depth: 12.7103 |
Hydrophobicity: 0.819444 | Drug Score: 0.221635 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | ||
HET ID: MES | PubChem: 4478249, 78165 | |
DrugBank: DB03814 | ChEMBL: CHEMBL1234276 | |
Canonical SMILES: [O-]S(=O)(=O)CC[NH+]1CCOCC1 | ||
Standard InChI: InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) | ||
Molecular Formula: C6H13NO4S | Mol. Weight: 195.23672 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 0.0967 |
HBD: 1 | HBA: 4 | TPSA: 79.25 |
#Bonds: 13 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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