SEQ2FUN

BioLiP

PDB CCD ID: A1BMQ
Number of entries in BioLiP: 2
Chemical formula: C9 H8 F N3 O
InChI: InChI=1S/C9H8FN3O/c10-7-4-2-1-3-6(7)9-12-8(5-11)13-14-9/h1-4H,5,11H2
InChIKey: HKUICAVZWQJAEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1noc(n1)c2ccccc2F
ACDLabs 14.52NCc1nc(on1)c1ccccc1F
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)c2nc(no2)CN)F
Name:1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
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).