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BioLiP

PDB CCD ID: SPA
Number of entries in BioLiP: 2
Chemical formula: C6 H6 O2 S
InChI: InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
InChIKey: SMJRBWINMFUUDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)Cc1sccc1
ACDLabs 10.04O=C(O)Cc1sccc1
OpenEye OEToolkits 1.5.0c1cc(sc1)CC(=O)O
Name:THIOPHENEACETIC ACID
ZINC: ZINC000000157069
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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