SEQ2FUN

BioLiP

PDB CCD ID: ZRK
Number of entries in BioLiP: 2
Chemical formula: C12 H8 N2 O2
InChI: InChI=1S/C12H8N2O2/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-7H,(H,14,15)
InChIKey: NLYCKXUGHPVKMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2NC=Cc1oc(cc12)c3ccncc3
CACTVS 3.370O=C1NC=Cc2oc(cc12)c3ccncc3
OpenEye OEToolkits 1.7.2c1cnccc1c2cc3c(o2)C=CNC3=O
Name:2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE
ChEMBL: CHEMBL1738951
ZINC: ZINC000066157014
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).