SEQ2FUN

BioLiP

PDB CCD ID: T61
Number of entries in BioLiP: 4
Chemical formula: C14 H11 Cl N2 O3
InChI: InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
InChIKey: BBBOKCZDRCMPOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO
Name:3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide
ChEMBL: CHEMBL3797843
ZINC: ZINC000653852787
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).