BioLiP

PDB

BioLiP

PDB CCD ID:

N2I

Number of entries in BioLiP:

Chemical formula:

C11 H9 N

InChI:

InChI=1S/C11H9N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H2

InChIKey:

FGRABSHVUNBHIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.6	C=Nc1ccc2ccccc2c1
ACDLabs 12.01	N(=C)\c2ccc1c(cccc1)c2

Name:

N-(naphthalen-2-yl)methanimine

ZINC:

ZINC000095920624

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).