BioLiP

PDB

BioLiP

PDB CCD ID:

R6X

Number of entries in BioLiP:

Chemical formula:

C6 H4 Br N O4

InChI:

InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)

InChIKey:

PCMDXAXSHBWBAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=C(NC(=C(C1=O)O)C(=O)O)Br
CACTVS 3.385	OC(=O)C1=C(O)C(=O)C=C(Br)N1
ACDLabs 12.01	OC1=C(NC(Br)=CC1=O)C(=O)O

Name:

6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

ChEMBL:

CHEMBL5289241

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).