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BioLiP

PDB CCD ID: 5TO
Number of entries in BioLiP: 2
Chemical formula: C12 H21 N O
InChI: InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
InChIKey: QNSQANVPHXTUQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1CCC(C1)CCC(=O)N2CCCC2
CACTVS 3.385O=C(CCC1CCCC1)N2CCCC2
Name:3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
ChEMBL: CHEMBL4069377
ZINC: ZINC000005897026
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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