BioLiP

PDB

BioLiP

PDB CCD ID:

8UD

Number of entries in BioLiP:

Chemical formula:

C7 H9 N3 O

InChI:

InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)

InChIKey:

KOAUKLIDSVHLCP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C)C(c1cccnc1N)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNC(=O)c1cccnc1N

Name:

2-amino-N-methylpyridine-3-carboxamide

ZINC:

ZINC000035570318

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).