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BioLiP Library

PDB CCD ID: A1ABB
Number of entries in BioLiP: 1
Chemical formula: C9 H6 O3 S
InChI: InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)
InChIKey: ZASUJVQPFQRFPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(=O)c1ccc(s1)c1occc1
CACTVS 3.385OC(=O)c1sc(cc1)c2occc2
OpenEye OEToolkits 2.0.7c1cc(oc1)c2ccc(s2)C(=O)O
Name:(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid
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)(download the PDF file).
  • 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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