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BioLiP Library

PDB CCD ID: 5WT
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O2
InChI: InChI=1S/C13H14N2O2/c1-8-6-13(17)15(3)12-7-10(14-9(2)16)4-5-11(8)12/h4-7H,1-3H3,(H,14,16)
InChIKey: YAOZNWQIDDSLHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C
CACTVS 3.385CN1C(=O)C=C(C)c2ccc(NC(C)=O)cc12
Name:~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide
ChEMBL: CHEMBL3775394
ZINC: ZINC000263621252
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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