SEQ2FUN

BioLiP

PDB CCD ID: PXX
Number of entries in BioLiP: 44
Chemical formula: C14 H11 N3 O
InChI: InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
InChIKey: AAJXINSCZMZERD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1cc2cccnc2c3c1cccn3
CACTVS 3.341CC(=O)Nc1cc2cccnc2c3ncccc13
ACDLabs 10.04O=C(Nc2cc1cccnc1c3ncccc23)C
Name:N-1,10-phenanthrolin-5-ylacetamide
DrugBank: DB08440
ZINC: ZINC000053683165
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).