BioLiP

PDB

BioLiP

PDB CCD ID:

UVV

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O

InChI:

InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3

InChIKey:

VFLVYBUNQQTDOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1(C(C)=CC=C(C1=O)N)C
OpenEye OEToolkits 2.0.7	CC1=CC=C(C(=O)N1C)N
CACTVS 3.385	CN1C(=CC=C(N)C1=O)C

Name:

3-amino-1,6-dimethylpyridin-2(1H)-one

ZINC:

ZINC000082164531

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).