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BioLiP

PDB CCD ID: M83
Number of entries in BioLiP: 4
Chemical formula: C12 H7 N O3
InChI: InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15)
InChIKey: ZBBYBWMLIOUQRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N
CACTVS 3.385OC(=O)c1oc(cc1)c2cccc(c2)C#N
Name:5-(3-cyanophenyl)furan-2-carboxylic acid
ChEMBL: CHEMBL4648479
ZINC: ZINC000006863124
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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