SEQ2FUN

BioLiP

PDB CCD ID: SJR
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2 O2
InChI: InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)
InChIKey: YFXWAMDABVLKSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		COc1ccc(cc1)C(=O)Nc2ccccn2
ACDLabs 12.01O=C(Nc1ncccc1)c2ccc(OC)cc2
Name:4-methoxy-N-(pyridin-2-yl)benzamide
ChEMBL: CHEMBL1571193
ZINC: ZINC000000338601
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).