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BioLiP

PDB CCD ID: W7T
Number of entries in BioLiP: 4
Chemical formula: C10 H20 N2 O
InChI: InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13)
InChIKey: KJMNNPQKALZUCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(CC1CCCCC1)NCCN
CACTVS 3.385NCCNC(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7C1CCC(CC1)CC(=O)NCCN
Name:N-(2-aminoethyl)-2-cyclohexylacetamide
ZINC: ZINC000020251698
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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