SEQ2FUN

BioLiP

PDB CCD ID: KJI
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O
InChI: InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKey: OZRCAPIRQWCXDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1NC(=O)CNc2ccnc3ccccc23
ACDLabs 12.01O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)CNc2ccnc3c2cccc3
Name:N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
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).