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BioLiP

PDB CCD ID: BXA
Number of entries in BioLiP: 19
Chemical formula: C2 H3 Br O2
InChI: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey: KDPAWGWELVVRCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CBr
OpenEye OEToolkits 1.7.0C(C(=O)O)Br
ACDLabs 12.01BrCC(=O)O
Name:bromoacetic acid
ChEMBL: CHEMBL60851
DrugBank: DB02198
ZINC: ZINC000003860231
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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