SEQ2FUN

BioLiP

PDB CCD ID: A1BFC
Number of entries in BioLiP: 0
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c1-7(2)11(15)13-9-5-3-4-8(6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChIKey: BNDJIHWSAYLUIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C(=O)Nc1cccc(c1)C(N)=O
OpenEye OEToolkits 3.1.0.0CC(C)C(=O)Nc1cccc(c1)C(=O)N
ACDLabs 14.52O=C(Nc1cc(ccc1)C(N)=O)C(C)C
Name:3-(2-methylpropanamido)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).