SEQ2FUN

BioLiP

PDB CCD ID: LLG
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N O2
InChI: InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKey: PDCSQCHNOPNJMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCOC(=O)Cc1cccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(=O)OCCN
ACDLabs 10.04O=C(OCCN)Cc2cccc1ccccc12
Name:2-aminoethyl naphthalen-1-ylacetate
DrugBank: DB08115
ZINC: ZINC000053683366
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).