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BioLiP

PDB CCD ID: 6N8
Number of entries in BioLiP: 2
Chemical formula: C20 H20 N2 O
InChI: InChI=1S/C20H20N2O/c23-20(22-15-7-8-16-22)21-14-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-12,15-16,19H,13-14H2,(H,21,23)
InChIKey: HEHFNRQOOMVVBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NCCC(c1ccccc1)c2ccccc2)n3cccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3
Name:N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE
ZINC: ZINC000230472086
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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