SEQ2FUN

BioLiP

PDB CCD ID: 27Y
Number of entries in BioLiP: 3
Chemical formula: C5 H4 Br N O2
InChI: InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
InChIKey: KXBXUHWCODHRHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC=C1Br)O
ACDLabs 12.01BrC1=CNC(=O)C(O)=C1
CACTVS 3.385OC1=CC(=CNC1=O)Br
Name:5-bromo-3-hydroxypyridin-2(1H)-one
ChEMBL: CHEMBL3617029
ZINC: ZINC000021981788
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).