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BioLiP

PDB CCD ID: ZP5
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N4 O4
InChI: InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)
InChIKey: JFRDDDWDJJFTRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3
ACDLabs 12.01O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
Name:4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
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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