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BioLiP

PDB CCD ID: O1A
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N3 O
InChI: InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKey: QAEVFGOUSCYAPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(cc1)N2CCN(CC2)C
ACDLabs 12.01N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O
CACTVS 3.385CN1CCN(CC1)c2ccc(NC(C)=O)cc2
Name:N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
ZINC: ZINC000000515009
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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