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BioLiP

PDB CCD ID: UF3
Number of entries in BioLiP: 1
Chemical formula: C11 H6 Cl N3 O2
InChI: InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17)
InChIKey: LKHRQOBJACQEBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)c3c(cn2)NC(=O)C(=O)N3
Name:9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione
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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