SEQ2FUN

BioLiP

PDB CCD ID: 3BR
Number of entries in BioLiP: 0
Chemical formula: C3 H7 Br
InChI: InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04BrCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCBr
Name:1-BROMOPROPANE
ChEMBL: CHEMBL1230095
ZINC: ZINC000002012917
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).