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BioLiP Library

PDB CCD ID: AWY
Number of entries in BioLiP: 2
Chemical formula: C15 H17 N O2
InChI: InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)NCCc1cccc2c1cc(cc2)OC
CACTVS 3.385COc1ccc2cccc(CCNC(C)=O)c2c1
Name:~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
ChEMBL: CHEMBL10878
DrugBank: DB06594
ZINC: ZINC000000005608
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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