BioLiP

PDB

BioLiP

PDB CCD ID:

W58

Number of entries in BioLiP:

Chemical formula:

C13 H15 N

InChI:

InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2

InChIKey:

MOJPEWKNYNURQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CC=C(CN1)c2ccc3CCc3c2
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C3=CCCNC3)CC2

Name:

5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine

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).