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BioLiP

PDB CCD ID: ZOU
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N3 O4
InChI: InChI=1S/C18H21N3O4/c1-13-5-6-15(24-2)14(12-13)19-18(23)21-9-7-20(8-10-21)17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)
InChIKey: SUWVNQBVHZNJOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco1
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)OC
CACTVS 3.385COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=O)c3occc3
Name:4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)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)(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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