SEQ2FUN

BioLiP

PDB CCD ID: A1AA9
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c13-12(15)10-6-2-3-7-11(10)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H2,13,15)
InChIKey: VTXYPPVXMJMLCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N)N2CCCCC2
ACDLabs 12.01NC(=O)c1ccccc1N1CCCCC1
CACTVS 3.385NC(=O)c1ccccc1N2CCCCC2
Name:2-(piperidin-1-yl)benzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).