BioLiP

PDB

BioLiP

PDB CCD ID:

GRY

Number of entries in BioLiP:

Chemical formula:

C12 H14 N4

InChI:

InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey:

SFVBOQCTJBQABR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(nc(n1)Nc2ccc(cc2)N)C
CACTVS 3.385	Cc1cc(C)nc(Nc2ccc(N)cc2)n1

Name:

~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

ZINC:

ZINC000000154213

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).