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BioLiP

PDB CCD ID: T89
Number of entries in BioLiP: 1
Chemical formula: C13 H17 N O2
InChI: InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKey: RLTIVBMLQJFUOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)N2CCC(CC2)CO
ACDLabs 12.01O=C(c1ccccc1)N1CCC(CO)CC1
CACTVS 3.385OCC1CCN(CC1)C(=O)c2ccccc2
Name:[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone
ZINC: ZINC000019780845
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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