SEQ2FUN

BioLiP

PDB CCD ID: GQZ
Number of entries in BioLiP: 4
Chemical formula: C14 H12 N2 O3
InChI: InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
InChIKey: NXHPVXNYPQJIOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO
Name:~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
ChEMBL: CHEMBL2381520
ZINC: ZINC000095921741
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).