SEQ2FUN

BioLiP

PDB CCD ID: GOW
Number of entries in BioLiP: 4
Chemical formula: C15 H14 N2 O3
InChI: InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)
InChIKey: ROYNQMDXPFEFHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO
Name:3-benzamido-4-methyl-~{N}-oxidanyl-benzamide
ChEMBL: CHEMBL3797597
ZINC: ZINC000653843991
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).