BioLiP

PDB

BioLiP

PDB CCD ID:

WOQ

Number of entries in BioLiP:

Chemical formula:

C19 H19 N

InChI:

InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3

InChIKey:

GVPIXRLYKVFFMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
OpenEye OEToolkits 2.0.7	CN1CCC2=C(C1)c3ccccc3Cc4c2cccc4
CACTVS 3.385	CN1CCC2=C(C1)c3ccccc3Cc4ccccc24

Name:

Setiptiline;
[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine;
Tecipul;
delta(13b,4a),4a-Carba-mianserin;
MO-8282;
ORG-8282

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).