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BioLiP

PDB CCD ID: Y0J
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O4
InChI: InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)
InChIKey: HEPZUVCMUSWIQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O
CACTVS 3.385O=C(Nc1oc2ccccc2n1)N3CCN(CC3)C(=O)c4occc4
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4
Name:N-(1,3-benzoxazol-2-yl)-4-(furan-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)(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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