SEQ2FUN

BioLiP

PDB CCD ID: ZUZ
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N O3
InChI: InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)
InChIKey: ANWVRESNPYHPKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)OC)C1CCCCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7
COC(=O)CNC(=O)C1CCCCC1
Name:methyl N-(cyclohexanecarbonyl)glycinate
ZINC: ZINC000001467774

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).