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BioLiP

PDB CCD ID: SYL
Number of entries in BioLiP: 1
Chemical formula: C17 H27 N O2
InChI: InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1
InChIKey: ZUJMXLRQVDCTHJ-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCC[C@H](c1cccc(c1)OCC2CCCCC2)O
ACDLabs 12.01CNCCC(O)c1cc(OCC2CCCCC2)ccc1
CACTVS 3.385CNCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
CACTVS 3.385CNCC[CH](O)c1cccc(OCC2CCCCC2)c1
OpenEye OEToolkits 2.0.7CNCCC(c1cccc(c1)OCC2CCCCC2)O
Name:(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
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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