SEQ2FUN

BioLiP

PDB CCD ID: 6C5
Number of entries in BioLiP: 3
Chemical formula: C11 H20 N2 O
InChI: InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14)
InChIKey: OWSBTCNFAQNXTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NCC1CCCC1)N2CCCC2
OpenEye OEToolkits 2.0.4C1CCC(C1)CNC(=O)N2CCCC2
ACDLabs 12.01C1CCCN1C(NCC2CCCC2)=O
Name:N-(cyclopentylmethyl)pyrrolidine-1-carboxamide
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).