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BioLiP Library

PDB CCD ID: JV5
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O2
InChI: InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)
InChIKey: VIBQPIOMWNLUQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3
CACTVS 3.385Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2
Name:~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
ChEMBL: CHEMBL4439414
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)(download the PDF file).
  • 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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