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BioLiP

PDB CCD ID: 7UE
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
InChIKey: MBHJQDUXANKYCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn(c1)c2cc(cnc2)C(=O)O
CACTVS 3.385OC(=O)c1cncc(c1)n2cccc2
Name:5-pyrrol-1-ylpyridine-3-carboxylic acid
ZINC: ZINC000002456126
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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