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BioLiP

PDB CCD ID: 53G
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O
InChI: InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3
InChIKey: HQOVESVNZPVFDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C(=O)c1ccc2nccnc2c1
OpenEye OEToolkits 1.9.2CN(C)C(=O)c1ccc2c(c1)nccn2
ACDLabs 12.01n1ccnc2ccc(cc12)C(=O)N(C)C
Name:N,N-dimethylquinoxaline-6-carboxamide
ZINC: ZINC000013466583
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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