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BioLiP

PDB CCD ID: SYH
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N4 O
InChI: InChI=1S/C14H16N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5H,1,6-10H2
InChIKey: WYBCNWLSBYEMQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C=C1CCN(CC1)C(=O)Cn2nnc3ccccc23
OpenEye OEToolkits 2.0.7C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2
Name:2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one;
2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethan-1-one;
2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone
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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