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BioLiP

PDB CCD ID: JVF
Number of entries in BioLiP: 2
Chemical formula: C13 H20 N2 O S
InChI: InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKey: MFTVFFIYFANPCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCN(CC)CCNC(=O)c1ccccc1S
Name:~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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