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BioLiP

PDB CCD ID: T1M
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N O
InChI: InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1
InChIKey: ZFJGRVQFTNBLRP-YPMHNXCESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H]1[C@@H](O)CCCN1Cc2ccccc2
ACDLabs 12.01c2(CN1C(C)C(CCC1)O)ccccc2
CACTVS 3.385C[CH]1[CH](O)CCCN1Cc2ccccc2
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H](CCCN1Cc2ccccc2)O
OpenEye OEToolkits 2.0.7CC1C(CCCN1Cc2ccccc2)O
Name:(2R,3R)-1-benzyl-2-methylpiperidin-3-ol
ZINC: ZINC000107242045
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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