SEQ2FUN

BioLiP

PDB CCD ID: BRJ
Number of entries in BioLiP: 62
Chemical formula: C2 H5 Br O
InChI: InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
InChIKey: LDLCZOVUSADOIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04BrCCO
CACTVS 3.341OCCBr
OpenEye OEToolkits 1.5.0C(CBr)O
Name:2-BROMOETHANOL
ChEMBL: CHEMBL468583
ZINC: ZINC000004978447
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).