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BioLiP

PDB CCD ID: AYJ
Number of entries in BioLiP: 3
Chemical formula: C9 H18 N2 O3 S
InChI: InChI=1S/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKey: QDBVGTMWMXUNPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)N(CC(N)=O)C1CCCCC1
OpenEye OEToolkits 2.0.6CS(=O)(=O)N(CC(=O)N)C1CCCCC1
Name:2-[cyclohexyl(methylsulfonyl)amino]ethanamide
ZINC: ZINC000000574499
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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