SEQ2FUN

BioLiP

PDB CCD ID: QF5
Number of entries in BioLiP: 2
Chemical formula: C17 H14 N2 O
InChI: InChI=1S/C17H14N2O/c20-17(10-13-6-2-1-3-7-13)19-16-12-18-11-14-8-4-5-9-15(14)16/h1-9,11-12H,10H2,(H,19,20)
InChIKey: IBEFUXAVGLACIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Cc1ccccc1)Nc2cncc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3
ACDLabs 12.01O=C(Cc1ccccc1)Nc1cncc2ccccc21
Name:N-(isoquinolin-4-yl)-2-phenylacetamide
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).