SEQ2FUN

BioLiP

PDB CCD ID: AWV
Number of entries in BioLiP: 3
Chemical formula: C15 H20 N2
InChI: InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
InChIKey: PDUPXVBNXBQTQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CCCN(CC1)Cc2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3
Name:3-(azepan-1-ylmethyl)-1~{H}-indole
ChEMBL: CHEMBL1623608
ZINC: ZINC000000237940
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).