SEQ2FUN

BioLiP

PDB CCD ID: N6W
Number of entries in BioLiP: 3
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
Name:benzo[b][1]benzazepine-11-carboxamide
ChEMBL: CHEMBL108
DrugBank: DB00564
ZINC: ZINC000000004785
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).