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BioLiP

PDB CCD ID: YX2
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKey: HGKMUPQEYVFOFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1c2ccccc2oc1C(=O)N
CACTVS 3.385CCC(=O)Nc1c(oc2ccccc12)C(N)=O
ACDLabs 12.01CCC(=O)Nc1c2ccccc2oc1C(N)=O
Name:3-propanamido-1-benzofuran-2-carboxamide
ZINC: ZINC000000380718
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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