PDB Entry (2rjc)

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Visualizer: MichelaNGLo

PDB ID: 2rjc Resolution: 2.0 Å Exp. Method: X-RAY DIFFRACTION
PMID: 18026117 DOI: 10.1038/nsmb1340
Protein
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
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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