SEQ2FUN

BioLiP

PDB CCD ID: 21B
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N
InChI: InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
InChIKey: PHVGLTMQBUFIQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCCC=C1c2ccccc2CCc3ccccc13
ACDLabs 12.01c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3
OpenEye OEToolkits 1.7.6CNCCC=C1c2ccccc2CCc3c1cccc3
Name:Nortriptyline;
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine
ChEMBL: CHEMBL445
DrugBank: DB00540
ZINC: ZINC000001530741
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).