SEQ2FUN

BioLiP

PDB CCD ID: RJ8
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N2 O
InChI: InChI=1S/C13H10N2O/c14-13-8-10(3-5-15-13)9-1-2-12-11(7-9)4-6-16-12/h1-8H,(H2,14,15)
InChIKey: AESBNYUOPVLZJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc(ccn1)c2ccc3occc3c2
OpenEye OEToolkits 2.0.7c1cc2c(cco2)cc1c3ccnc(c3)N
Name:4-(1-benzofuran-5-yl)pyridin-2-amine
ChEMBL: CHEMBL5083053
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).