SEQ2FUN

BioLiP

PDB CCD ID: IJU
Number of entries in BioLiP: 1
Chemical formula: C7 H8 Br N O
InChI: InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
InChIKey: ZORPPTKICHKCHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCc1cc(Br)ccn1
OpenEye OEToolkits 2.0.7COCc1cc(ccn1)Br
Name:4-bromanyl-2-(methoxymethyl)pyridine
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).