SEQ2FUN

BioLiP

PDB CCD ID: 6C4
Number of entries in BioLiP: 1
Chemical formula: C12 H21 N O
InChI: InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14)
InChIKey: XMMIVGOEEFBRNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NCC1CCCC1)C2CCCC2
OpenEye OEToolkits 2.0.4C1CCC(C1)CNC(=O)C2CCCC2
ACDLabs 12.01C2(C(=O)NCC1CCCC1)CCCC2
Name:N-(cyclopentylmethyl)cyclopentanecarboxamide
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).