SEQ2FUN

BioLiP

PDB CCD ID: ONB
Number of entries in BioLiP: 1
Chemical formula: C14 H11 N
InChI: InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2c(c1)C=Cc3ccccc3N2
CACTVS 3.370N1c2ccccc2C=Cc3ccccc13
ACDLabs 12.01c3cc2c(C=Cc1c(cccc1)N2)cc3
Name:5H-dibenzo[b,f]azepine
ChEMBL: CHEMBL243596
ZINC: ZINC000001036792
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).