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BioLiP

PDB CCD ID: VR7
Number of entries in BioLiP: 1
Chemical formula: C11 H8 O3 S
InChI: InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
InChIKey: ZGSXCSMJOZJLKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(ccc1O)c2cscc2
OpenEye OEToolkits 2.0.7c1cc(c(cc1c2ccsc2)C(=O)O)O
ACDLabs 12.01c1c(ccc(c1C(O)=O)O)c2ccsc2
Name:2-hydroxy-5-(thiophen-3-yl)benzoic acid
ChEMBL: CHEMBL4245097
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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