SEQ2FUN

BioLiP

PDB CCD ID: LDR
Number of entries in BioLiP: 6
Chemical formula: C13 H9 N O
InChI: InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey: RZFVLEJOHSLEFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1Nc2ccccc2c3ccccc13
ACDLabs 12.01O=C2c3c(c1c(cccc1)N2)cccc3
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3ccccc3NC2=O
Name:phenanthridin-6(5H)-one
ChEMBL: CHEMBL45245
ZINC: ZINC000008580818
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).