SEQ2FUN

BioLiP

PDB CCD ID: A1ITH
Number of entries in BioLiP: 1
Chemical formula: C18 H21 Cl N2
InChI: InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
InChIKey: VPIXQGUBUKFLRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCCCN1c2ccccc2CCc3c1cc(cc3)Cl
CACTVS 3.385CNCCCN1c2ccccc2CCc3ccc(Cl)cc13
Name:Norclomipramine;
3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine;
Desmethylclomipramine
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).