SEQ2FUN

BioLiP

PDB CCD ID: A1BG6
Number of entries in BioLiP: 1
Chemical formula: C6 H7 Br N
InChI: InChI=1S/C6H7BrN/c1-8-4-2-3-6(7)5-8/h2-5H,1H3/q+1
InChIKey: HETQOWPCHKBEFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C[n+]1cccc(c1)Br
ACDLabs 14.52
CACTVS 3.385		C[n+]1cccc(Br)c1
Name:3-bromanyl-1-methyl-pyridine
ChEMBL: CHEMBL5400766
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).