SEQ2FUN

BioLiP

PDB CCD ID: B4O
Number of entries in BioLiP: 3
Chemical formula: C12 H17 N O2
InChI: InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKey: SCKYRAXSEDYPSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)N(O)C(=C1)C2CCCCC2
OpenEye OEToolkits 2.0.6CC1=CC(=O)N(C(=C1)C2CCCCC2)O
Name:6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
ChEMBL: CHEMBL1413
DrugBank: DB01188
ZINC: ZINC000000001145
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).