SEQ2FUN

BioLiP

PDB CCD ID: 760
Number of entries in BioLiP: 1
Chemical formula: C20 H20 N2
InChI: InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)
InChIKey: JYJAEHAURXXPSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4
CACTVS 3.341C1CCc2c(C1)nc3ccccc3c2NCc4ccccc4
ACDLabs 10.04n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4
Name:9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE;
9-N-PHENYLMETHYLAMINO-TACRINE
ChEMBL: CHEMBL215344
DrugBank: DB03672
ZINC: ZINC000003871299
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).