SEQ2FUN

BioLiP

PDB CCD ID: A1ALB
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N3 O
InChI: InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2
InChIKey: HKWQPWPKROMXCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)c2oc3cccnc3n2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)c2nc3c(o2)cccn3
ACDLabs 12.01Nc1cccc(c1)c1nc2ncccc2o1
Name:3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
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).