SEQ2FUN

BioLiP

PDB CCD ID: A1AXQ
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Br N2 O
InChI: InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChIKey: KFORTEWAPHTQIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1nnc(o1)c1cc(Br)ccc1
OpenEye OEToolkits 2.0.7Cc1nnc(o1)c2cccc(c2)Br
CACTVS 3.385Cc1oc(nn1)c2cccc(Br)c2
Name:2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
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).