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BioLiP

PDB CCD ID: WM2
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N O
InChI: InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKey: PNZXMIKHJXIPEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)C1CCCCC1
ACDLabs 12.01O=C(N)C1CCCCC1
OpenEye OEToolkits 1.7.6C1CCC(CC1)C(=O)N
Name:cyclohexanecarboxamide;
Hexahydrobenzamide
ChEMBL: CHEMBL366975
ZINC: ZINC000000157404
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).
  • 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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