SEQ2FUN

BioLiP

PDB CCD ID: D3K
Number of entries in BioLiP: 2
Chemical formula: C20 H25 N O2
InChI: InChI=1S/C20H25NO2/c1-22-14-15-23-19-12-6-5-10-17(19)20(18-11-7-13-21-18)16-8-3-2-4-9-16/h2-6,8-10,12,18,20-21H,7,11,13-15H2,1H3/t18-,20-/m1/s1
InChIKey: ZARLKYUJYNEEOE-UYAOXDASSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCCOc1ccccc1[C@H]([C@H]2CCCN2)c3ccccc3
OpenEye OEToolkits 2.0.6COCCOc1ccccc1C(c2ccccc2)C3CCCN3
CACTVS 3.385COCCOc1ccccc1[CH]([CH]2CCCN2)c3ccccc3
OpenEye OEToolkits 2.0.6COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3
Name:(2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).