SEQ2FUN

BioLiP

PDB CCD ID: DSM
Number of entries in BioLiP: 21
Chemical formula: C18 H22 N2
InChI: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CNCCCN1c2ccccc2CCc3ccccc13
ACDLabs 10.04c1cc3c(cc1)CCc2c(cccc2)N3CCCNC
OpenEye OEToolkits 1.5.0CNCCCN1c2ccccc2CCc3c1cccc3
Name:3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE;
Desipramine;
Norpramin
ChEMBL: CHEMBL72
DrugBank: DB01151
ZINC: ZINC000001530611
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).