SEQ2FUN

BioLiP

PDB CCD ID: MBR
Number of entries in BioLiP: 57
Chemical formula: C H Br3
InChI: InChI=1S/CHBr3/c2-1(3)4/h1H
InChIKey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(Br)(Br)Br
ACDLabs 10.04
CACTVS 3.341		BrC(Br)Br
Name:TRIBROMOMETHANE
ChEMBL: CHEMBL345248
DrugBank: DB03054
ZINC: ZINC000008101061
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).