BioLiP

PDB

BioLiP

PDB CCD ID:

A1BL5

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O2

InChI:

InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)

InChIKey:

AMUTYVGRCVFCCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Nc1cc(cnc1N)C(=O)O
CACTVS 3.385	Nc1cc(cnc1N)C(O)=O
OpenEye OEToolkits 3.1.0.0	c1c(cnc(c1N)N)C(=O)O

Name:

5,6-diaminopyridine-3-carboxylic acid

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).