SEQ2FUN

BioLiP

PDB CCD ID: CCB
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N O
InChI: InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
InChIKey: DWGVYBRKKSJLNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(C1)N(C=O)C2CCC2
ACDLabs 10.04O=CN(C1CCC1)C2CCCC2
CACTVS 3.341O=CN(C1CCCC1)C2CCC2
Name:CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE;
N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE
ChEMBL: CHEMBL45844
DrugBank: DB04065
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).