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BioLiP

PDB CCD ID: A1A0X
Number of entries in BioLiP: 0
Chemical formula: C6 H7 N O2 S
InChI: InChI=1S/C6H7NO2S/c1-3-5(7)4(2-10-3)6(8)9/h2H,7H2,1H3,(H,8,9)
InChIKey: UEGHDHJPAIWDJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(cs1)C(=O)O)N
ACDLabs 12.01
CACTVS 3.385		Cc1scc(C(O)=O)c1N
Name:4-amino-5-methylthiophene-3-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).
  • 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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