SEQ2FUN

BioLiP

PDB CCD ID: L7A
Number of entries in BioLiP: 1
Chemical formula: C17 H13 N3 O2
InChI: InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
InChIKey: KASWEFFYPLWMCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3
ACDLabs 12.01O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3
Name:N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide;
3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one
ChEMBL: CHEMBL1738828
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).