BioLiP

PDB

BioLiP

PDB CCD ID:

A1CDV

Number of entries in BioLiP:

Chemical formula:

C6 H6 Br N3 O

InChI:

InChI=1S/C6H6BrN3O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,8,10)(H2,9,11)

InChIKey:

INMXVJSODXPGDJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(N)c1cc(Br)cnc1N
OpenEye OEToolkits 3.1.0.0	c1c(cnc(c1C(=O)N)N)Br
CACTVS 3.385	NC(=O)c1cc(Br)cnc1N

Name:

2-amino-5-bromopyridine-3-carboxamide

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).