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BioLiP

PDB CCD ID: 2FX
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O2 S
InChI: InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
InChIKey: SAAWNQLNUJBOLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)cc(s2)CC(=O)O
CACTVS 3.352OC(=O)Cc1sc2ccccc2c1
ACDLabs 11.02O=C(O)Cc2sc1ccccc1c2
Name:1-benzothiophen-2-ylacetic acid
ZINC: ZINC000039281982
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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