SEQ2FUN

BioLiP

PDB CCD ID: 9JK
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N O S
InChI: InChI=1S/C13H11NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
InChIKey: UNNFUOQPVNQPFU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Sc1ccccc1C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)c2ccccc2S
Name:~{N}-phenyl-2-sulfanyl-benzamide
ChEMBL: CHEMBL317000
ZINC: ZINC000026722564
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).