BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8N

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2

InChI:

InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)

InChIKey:

JIIOLEGNERQDIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)C)N=CNC
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)C)/N=C/NC
CACTVS 3.385	CNC=Nc1ccc(C)cc1C

Name:

~{N}'-(2,4-dimethylphenyl)-~{N}-methyl-methanimidamide

ChEMBL:

CHEMBL1192540

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).