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BioLiP

PDB CCD ID: K0J
Number of entries in BioLiP: 7
Chemical formula: C5 H8 N4 O
InChI: InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKey: VTJBQJOBKLNCDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1nnc(c1)C(NCC)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCNC(=O)c1c[nH]nn1
Name:N-ethyl-1H-1,2,3-triazole-4-carboxamide
ZINC: ZINC000070190771
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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