SEQ2FUN

BioLiP

PDB CCD ID: D5B
Number of entries in BioLiP: 0
Chemical formula: C16 H18 N2
InChI: InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2/p+2
InChIKey: NTFMELQYTBAEQP-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+]
CACTVS 3.385[NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc12
Name:[8-(azaniumylmethyl)anthracen-1-yl]methylazanium
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).