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BioLiP Library

PDB CCD ID: 8SY
Number of entries in BioLiP: 3
Chemical formula: C10 H12 N2 O
InChI: InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3
InChIKey: ULWJTPAOSJSHFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2CCC1=O)N
CACTVS 3.385CN1C(=O)CCc2cc(N)ccc12
ACDLabs 12.01N1(C(CCc2cc(ccc12)N)=O)C
Name:6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one
ZINC: ZINC000034936214
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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