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BioLiP

PDB CCD ID: HQB
Number of entries in BioLiP: 3
Chemical formula: C12 H9 N5 O2
InChI: InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)
InChIKey: WJQCMHKMNXKJQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]
Name:~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
ChEMBL: CHEMBL4778413
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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