SEQ2FUN

BioLiP

PDB CCD ID: RDV
Number of entries in BioLiP: 6
Chemical formula: C12 H22 N2 O
InChI: InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKey: PUCYMVZANVWWKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C2C(CCC(=O)N1CCNCC1)CCC2
OpenEye OEToolkits 2.0.6C1CCC(C1)CCC(=O)N2CCNCC2
CACTVS 3.385O=C(CCC1CCCC1)N2CCNCC2
Name:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
ChEMBL: CHEMBL4578549
ZINC: ZINC000000245523
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).