SEQ2FUN

BioLiP

PDB CCD ID: THA
Number of entries in BioLiP: 15
Chemical formula: C13 H14 N2
InChI: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
InChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1c2CCCCc2nc3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3c(n2)CCCC3)N
ACDLabs 10.04n1c3c(c(c2c1cccc2)N)CCCC3
Name:TACRINE
ChEMBL: CHEMBL95
DrugBank: DB00382
ZINC: ZINC000019014866
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).