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BioLiP

PDB CCD ID: CGH
Number of entries in BioLiP: 0
Chemical formula: C9 H17 N O2
InChI: InChI=1S/C9H17NO2/c11-9(12)7-10-8-5-3-1-2-4-6-8/h8,10H,1-7H2,(H,11,12)
InChIKey: NPLBBQAAYSJEMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CNC1CCCCCC1
ACDLabs 12.01O=C(O)CNC1CCCCCC1
OpenEye OEToolkits 1.7.0C1CCCC(CC1)NCC(=O)O
Name:N-cycloheptylglycine
ZINC: ZINC000019092970
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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