SEQ2FUN

BioLiP

PDB CCD ID: 9X5
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N
InChI: InChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3
InChIKey: SXTIUHLTWSXWRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=NCc2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.6CC1=NCc2ccccc2-c3c1cccc3
Name:5-methyl-7~{H}-benzo[d][2]benzazepine
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).