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BioLiP

PDB CCD ID: O2D
Number of entries in BioLiP: 2
Chemical formula: C10 H16 N4 O
InChI: InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)
InChIKey: AOBWCUAFPHIXSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(CC1CCCCC1)=O)n2cnnc2
OpenEye OEToolkits 2.0.6c1nncn1NC(=O)CC2CCCCC2
CACTVS 3.385O=C(CC1CCCCC1)Nn2cnnc2
Name:2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide
ZINC: ZINC000000859043
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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