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BioLiP

PDB CCD ID: WVU
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O3
InChI: InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKey: BAHFPJFBMJTOPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CN(CCN1)C(=O)OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)N2CCNC(=O)C2
Name:(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
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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