SEQ2FUN

BioLiP

PDB CCD ID: 1BZ
Number of entries in BioLiP: 0
Chemical formula: C13 H13 N O2
InChI: InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKey: AVLZAVSZOAQKRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
ACDLabs 12.01O=C1C=C(C=C(N1O)Cc2ccccc2)C
OpenEye OEToolkits 1.7.6CC1=CC(=O)N(C(=C1)Cc2ccccc2)O
Name:6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
ChEMBL: CHEMBL2386126
ZINC: ZINC000034100965
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).