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BioLiP

PDB CCD ID: OUZ
Number of entries in BioLiP: 1
Chemical formula: C15 H24 N2 O
InChI: InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
InChIKey: VKGGANBMWGYYDB-UKRRQHHQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNCCN1CC(OCC1C)c2ccccc2
CACTVS 3.385CCNCCN1C[CH](OC[CH]1C)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2
Name:~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
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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