SEQ2FUN

BioLiP

PDB CCD ID: BRP
Number of entries in BioLiP: 1
Chemical formula: C3 H5 Br O
InChI: InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2
InChIKey: MDFFZNIQPLKQSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Br/C(=C)CO
OpenEye OEToolkits 1.5.0C=C(CO)Br
CACTVS 3.341OCC(Br)=C
Name:2-BROMO-2-PROPENE-1-OL
DrugBank: DB04320
ZINC: ZINC000002043455
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).