SEQ2FUN

BioLiP

PDB CCD ID: BB0
Number of entries in BioLiP: 4
Chemical formula: C14 H15 N O
InChI: InChI=1S/C14H15NO/c1-10(16)11-4-5-13-9-14(15(2)3)7-6-12(13)8-11/h4-9H,1-3H3
InChIKey: FUVQYVZTQJOEQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)c1ccc2cc(ccc2c1)N(C)C
CACTVS 3.352CN(C)c1ccc2cc(ccc2c1)C(C)=O
Name:1-[6-(dimethylamino)naphthalen-2-yl]ethanone
ZINC: ZINC000022047164
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).