BioLiP

PDB

BioLiP

PDB CCD ID:

TXU

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2

InChI:

InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3

InChIKey:

TVKHGXPZBZKXFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1CCC=C1c2cccnc2
ACDLabs 12.01	CN1CCC=C1c1cnccc1

Name:

N-methylmyosmine

ZINC:

ZINC000006228343

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).