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BioLiP

PDB CCD ID: PV6
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N O S
InChI: InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)
InChIKey: RIDMSOMIFFTEJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N)S
ACDLabs 12.01O=C(N)c1ccccc1S
CACTVS 3.385NC(=O)c1ccccc1S
Name:2-sulfanylbenzamide
ZINC: ZINC000001603710
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).
  • 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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