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BioLiP Library

PDB CCD ID: 6XI
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O2 S
InChI: InChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12)
InChIKey: WSCYUZJLJQNLSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccn(c1)c2ccsc2C(=O)O
CACTVS 3.385OC(=O)c1sccc1n2cccc2
Name:3-pyrrol-1-ylthiophene-2-carboxylic acid
ZINC: ZINC000000158966
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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