SEQ2FUN

BioLiP

PDB CCD ID: YLE
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O2
InChI: InChI=1S/C15H12N2O2/c18-15-14-12(4-6-16-15)11-3-1-2-10(13(11)17-14)9-5-7-19-8-9/h1-3,5,7-8,17H,4,6H2,(H,16,18)
InChIKey: RVVFCLYULJUEDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c([nH]c2c(c1)c4ccoc4)C(=O)NCC3
CACTVS 3.385O=C1NCCc2c1[nH]c3c2cccc3c4cocc4
Name:8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
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).