SEQ2FUN

BioLiP

PDB CCD ID: 28A
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O3
InChI: InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-4,6-7,14H,5H2,1H3
InChIKey: UGMJNFNGAUVDRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2N=C(c1cccc(OC)c1)CC=C2O
CACTVS 3.385
OpenEye OEToolkits 1.7.6		COc1cccc(c1)C2=NC(=O)C(=CC2)O
Name:3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one
ZINC: ZINC000095921338
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).