SEQ2FUN

BioLiP

PDB CCD ID: BPV
Number of entries in BioLiP: 5
Chemical formula: C3 H3 Br O3
InChI: InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)Br
ACDLabs 10.04BrCC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)CBr
Name:Bromopyruvate;
Bromopyruvic acid;
3-bromo-2-oxopropanoic acid
ChEMBL: CHEMBL177837
DrugBank: DB17135
ZINC: ZINC000001718542
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).