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BioLiP

PDB CCD ID: ZQ0
Number of entries in BioLiP: 1
Chemical formula: C15 H23 N3 O3
InChI: InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)
InChIKey: PXQNPAFJUFSQDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
ACDLabs 12.01Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
OpenEye OEToolkits 2.0.7CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C
Name:N-butyl-4-(5-methylfuran-2-carbonyl)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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