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BioLiP

PDB CCD ID: RUV
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N5 O2
InChI: InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKey: AGTLIJXMGDFIBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2
ACDLabs 12.01N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2
Name:4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
ZINC: ZINC000000030082
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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