BioLiP

PDB

BioLiP

PDB CCD ID:

V6Q

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O

InChI:

InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3

InChIKey:

PXJACNDVRNAFHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COc1ccccc1CN

Name:

(2-methoxyphenyl)methanamine

ZINC:

ZINC000000164573

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).