BioLiP

PDB

BioLiP

PDB CCD ID:

M0W

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3

InChI:

InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12)

InChIKey:

ALMFHIAFDWANJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNc1c2ccccc2ncn1
CACTVS 3.385	CNc1ncnc2ccccc12

Name:

~{N}-methylquinazolin-4-amine

ZINC:

ZINC000001699233

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).