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BioLiP Library

PDB CCD ID: 841
Number of entries in BioLiP: 2
Chemical formula: C16 H24 N4 O
InChI: InChI=1S/C16H24N4O/c21-16(20-9-3-4-10-20)18-13-14-6-11-19(12-7-14)15-5-1-2-8-17-15/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
InChIKey: FCULEXINIXPVIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3
OpenEye OEToolkits 2.0.4c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3
Name:~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
ZINC: ZINC000263620406
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)(download the PDF file).
  • 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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