SEQ2FUN

BioLiP

PDB CCD ID: 5AO
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKey: AIELNJDAOGTASK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1cccc(c1)c2ocnc2
ACDLabs 12.01n1cc(oc1)c2cc(ccc2)N
OpenEye OEToolkits 1.7.0c1cc(cc(c1)N)c2cnco2
Name:3-(1,3-oxazol-5-yl)aniline
ChEMBL: CHEMBL3262562
ZINC: ZINC000000106648
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).