SEQ2FUN

BioLiP

PDB CCD ID: A1I7K
Number of entries in BioLiP: 2
Chemical formula: C7 H7 Br N2 O
InChI: InChI=1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)9-1-2-11-6/h3-4H,1-2H2,(H,9,10)
InChIKey: CYISPVTTZWJFEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cnc2c1OCCN2)Br
CACTVS 3.385Brc1cnc2NCCOc2c1
Name:7-bromanyl-3,4-dihydro-2~{H}-pyrido[3,2-b][1,4]oxazine
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).