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BioLiP

PDB CCD ID: I6G
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2 O2
InChI: InChI=1S/C11H12N2O2/c1-6-7(2)13-11-9(15-3)5-4-8(14)10(11)12-6/h4-5,14H,1-3H3
InChIKey: YKNPPZPHWDKZHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(nc2c(ccc(c2n1)O)OC)C
ACDLabs 12.01n1c2c(O)ccc(OC)c2nc(c1C)C
CACTVS 3.385COc1ccc(O)c2nc(C)c(C)nc12
Name:8-methoxy-2,3-dimethylquinoxalin-5-ol
ZINC: ZINC000263621281
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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