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BioLiP Library

PDB CCD ID: VWL
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2
InChI: InChI=1S/C12H12N2O2/c1-8-6-9(7-16-8)12(15)14-11-4-2-10(13)3-5-11/h2-7H,13H2,1H3,(H,14,15)
InChIKey: GUTHXYNNQOQQPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1occ(c1)C(=O)Nc2ccc(N)cc2
ACDLabs 12.01Cc1cc(co1)C(=O)Nc1ccc(N)cc1
OpenEye OEToolkits 2.0.7Cc1cc(co1)C(=O)Nc2ccc(cc2)N
Name:N-(4-aminophenyl)-5-methylfuran-3-carboxamide
ZINC: ZINC000019093821
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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