SEQ2FUN

BioLiP

PDB CCD ID: ZHA
Number of entries in BioLiP: 5
Chemical formula: C12 H13 N O2
InChI: InChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey: WEBCZGJWXXPNHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc2c(c1)CCCC2=O
CACTVS 3.385CC(=O)Nc1ccc2C(=O)CCCc2c1
Name:~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
ChEMBL: CHEMBL1568712
ZINC: ZINC000004271927

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).