BioLiP

PDB

BioLiP

PDB CCD ID:

YRW

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O

InChI:

InChI=1S/C6H7N3O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,7H2,(H2,8,10)

InChIKey:

MRZUGOPPUMNHGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cncc(c1C(=O)N)N
CACTVS 3.385	NC(=O)c1ccncc1N
ACDLabs 12.01	O=C(N)c1ccncc1N

Name:

3-aminopyridine-4-carboxamide

ZINC:

ZINC000030678199

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).