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BioLiP

PDB CCD ID: QUI
Number of entries in BioLiP: 2
Chemical formula: C9 H6 N2 O2
InChI: InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKey: UPUZGXILYFKSGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ncc(n2)C(=O)O
CACTVS 3.341OC(=O)c1cnc2ccccc2n1
ACDLabs 10.04O=C(O)c1nc2ccccc2nc1
Name:2-CARBOXYQUINOXALINE
ChEMBL: CHEMBL151797
ZINC: ZINC000000158579
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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