SEQ2FUN

BioLiP

PDB CCD ID: EBH
Number of entries in BioLiP: 4
Chemical formula: C3 H7 Br O
InChI: InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
InChIKey: WEGOLYBUWCMMMY-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@H](O)CBr
OpenEye OEToolkits 1.7.6C[C@@H](CBr)O
OpenEye OEToolkits 1.7.6CC(CBr)O
CACTVS 3.370C[CH](O)CBr
ACDLabs 12.01BrCC(O)C
Name:(2S)-1-bromopropan-2-ol
DrugBank: DB03335
ZINC: ZINC000003861677
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).