BioLiP

PDB

BioLiP

PDB CCD ID:

X4V

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3

InChI:

InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)

InChIKey:

QEDNABCLVCJRLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)c1ccnc(N)c1
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN(C)c1ccnc(c1)N

Name:

N~4~,N~4~-dimethylpyridine-2,4-diamine

ZINC:

ZINC000032175846

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).