SEQ2FUN

BioLiP

PDB CCD ID: 691
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)
InChIKey: VAECZJVLTOQMGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(C)Nc1cnc2c(c1)cccc2
OpenEye OEToolkits 1.9.2CC(=O)Nc1cc2ccccc2nc1
CACTVS 3.385CC(=O)Nc1cnc2ccccc2c1
Name:N-(quinolin-3-yl)acetamide
ChEMBL: CHEMBL394895
ZINC: ZINC000011535816
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).