SEQ2FUN

BioLiP

PDB CCD ID: A1A3Z
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N O
InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKey: KUYQDJOFVBGZID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 3.1.0.0		CCN(CC)C(=O)c1ccccc1C
ACDLabs 14.52Cc1ccccc1C(=O)N(CC)CC
Name:N,N-diethyl-2-methylbenzamide
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).