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BioLiP

PDB CCD ID: K6F
Number of entries in BioLiP: 4
Chemical formula: C10 H9 Cl N2
InChI: InChI=1S/C10H9ClN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3
InChIKey: CNNSWSHYGANWBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2ccc(Cl)cc2nc1C
ACDLabs 12.01Clc1cc2nc(C)c(C)nc2cc1
OpenEye OEToolkits 2.0.7Cc1c(nc2cc(ccc2n1)Cl)C
Name:6-chloro-2,3-dimethylquinoxaline
ChEMBL: CHEMBL1707141
ZINC: ZINC000003126403
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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