SEQ2FUN

BioLiP

PDB CCD ID: A1JCK
Number of entries in BioLiP: 2
Chemical formula: C12 H11 N O S
InChI: InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
InChIKey: SGMHGVVTMOGJMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385SCC(=O)Nc1ccc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)NC(=O)CS
Name:~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide;
SGMHGVVTMOGJMX-UHFFFAOYSA-N
ChEMBL: CHEMBL1369173
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).