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BioLiP

PDB CCD ID: KD4
Number of entries in BioLiP: 4
Chemical formula: C10 H9 Cl N2 O
InChI: InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3
InChIKey: ZBKVHXYHLSSFDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(nc2cccc(c2n1)OC)Cl
ACDLabs 12.01
CACTVS 3.385		COc1cccc2nc(Cl)c(C)nc12
Name:2-chloro-5-methoxy-3-methylquinoxaline
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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