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BioLiP

PDB CCD ID: LS6
Number of entries in BioLiP: 1
Chemical formula: C16 H22 N2 O2
InChI: InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)
InChIKey: LPMFCCCECUVGJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)C=CC1CCN(CC1)CCc2ccccc2
ACDLabs 12.01ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCN2CCC(CC2)C=CC(=O)NO
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO
CACTVS 3.385ONC(=O)/C=C/C1CCN(CC1)CCc2ccccc2
Name:(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
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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