SEQ2FUN

BioLiP

PDB CCD ID: D3W
Number of entries in BioLiP: 2
Chemical formula: C18 H21 N O
InChI: InChI=1S/C18H21NO/c1-20-17-12-6-5-10-15(17)18(16-11-7-13-19-16)14-8-3-2-4-9-14/h2-6,8-10,12,16,18-19H,7,11,13H2,1H3/t16-,18-/m1/s1
InChIKey: XSMYZJLQYZPORS-SJLPKXTDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3
CACTVS 3.385COc1ccccc1[C@H]([C@H]2CCCN2)c3ccccc3
OpenEye OEToolkits 2.0.6COc1ccccc1C(c2ccccc2)C3CCCN3
CACTVS 3.385COc1ccccc1[CH]([CH]2CCCN2)c3ccccc3
Name:(2~{R})-2-[(~{R})-(2-methoxyphenyl)-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).