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BioLiP

PDB CCD ID: T0W
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N4 O2
InChI: InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3
InChIKey: IKYIQYHISJXELQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2
CACTVS 3.385CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23
Name:2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide;
2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide
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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