SEQ2FUN

BioLiP

PDB CCD ID: T7D
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O2
InChI: InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
InChIKey: KFVWQRVNMHXHKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCC(CC1)NC(=O)c2ccccc2
Name:N-(1-acetylpiperidin-4-yl)benzamide
ChEMBL: CHEMBL433117
ZINC: ZINC000026388353
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).