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BioLiP Library

PDB CCD ID: XER
Number of entries in BioLiP: 4
Chemical formula: C7 H2 Cl F O2 S2
InChI: InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11)
InChIKey: UXMBSHHPPVOPJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cc2sc(c(Cl)c2s1)C(=O)O
CACTVS 3.385OC(=O)c1sc2cc(F)sc2c1Cl
OpenEye OEToolkits 2.0.7c1c2c(c(c(s2)C(=O)O)Cl)sc1F
Name:3-chloro-5-fluorothieno[3,2-b]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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