SEQ2FUN

BioLiP

PDB CCD ID: VNU
Number of entries in BioLiP: 2
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
InChIKey: NFWJLHQGYPHNHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2(CCC2)NC(=O)CN
ACDLabs 12.01O=C(NC1(CCC1)c1ccccc1)CN
CACTVS 3.385NCC(=O)NC1(CCC1)c2ccccc2
Name:N-(1-phenylcyclobutyl)glycinamide
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).