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BioLiP

PDB CCD ID: 5H6
Number of entries in BioLiP: 1
Chemical formula: C8 H4 Cl N O3 S
InChI: InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
InChIKey: JMQBVJRNJFBDFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(on1)c2sc(Cl)cc2
ACDLabs 12.01c2c(c1cc(C(O)=O)no1)sc(c2)Cl
OpenEye OEToolkits 1.9.2c1cc(sc1c2cc(no2)C(=O)O)Cl
Name:5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
ZINC: ZINC000022176002
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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