SEQ2FUN

BioLiP

PDB CCD ID: LWD
Number of entries in BioLiP: 4
Chemical formula: C16 H12 N2 O
InChI: InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
InChIKey: WQBDHSKBYRWNNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3
CACTVS 3.385O=C(Nc1ccc2ncccc2c1)c3ccccc3
Name:~{N}-quinolin-6-ylbenzamide
ChEMBL: CHEMBL1400038
ZINC: ZINC000000359137
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).