SEQ2FUN

BioLiP

PDB CCD ID: C7H
Number of entries in BioLiP: 1
Chemical formula: C21 H21 N
InChI: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
InChIKey: JJCFRYNCJDLXIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1
CACTVS 3.385CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
Name:4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine;
Cyproheptadine
ChEMBL: CHEMBL516
DrugBank: DB00434
ZINC: ZINC000000968264
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).