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BioLiP

PDB CCD ID: XXO
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N O3
InChI: InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey: RDJBDQGUVODXPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1)c2cc(ccn2)C(=O)O
ACDLabs 12.01c2(c1nccc(c1)C(O)=O)ccco2
CACTVS 3.385OC(=O)c1ccnc(c1)c2occc2
Name:2-(furan-2-yl)pyridine-4-carboxylic acid
ChEMBL: CHEMBL3613316
ZINC: ZINC000020357746
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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