SEQ2FUN

BioLiP

PDB CCD ID: UGS
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N2 O2
InChI: InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKey: LGUXBXKDCLNCEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC
OpenEye OEToolkits 2.0.7COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2
CACTVS 3.385COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
Name:N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
ChEMBL: CHEMBL4744511
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).