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BioLiP

PDB CCD ID: ZK6
Number of entries in BioLiP: 1
Chemical formula: C16 H17 N3 O3
InChI: InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)
InChIKey: DWSQSPVNNSEKBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1
CACTVS 3.385O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3
Name:4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide
ZINC: ZINC000002561796
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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