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BioLiP

PDB CCD ID: 5QX
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
InChIKey: JFWAVAHCZRTHLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CN1c2ccccc2NCC1=O
CACTVS 3.385CN1C(=O)CNc2ccccc12
Name:1-methyl-3,4-dihydroquinoxalin-2-one
ChEMBL: CHEMBL3819561
ZINC: ZINC000058436763
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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