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BioLiP

PDB CCD ID: 07C
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N4 O2 S
InChI: InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3
InChIKey: FAEYQDREFVLABR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
OpenEye OEToolkits 2.0.7CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]
Name:2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
ChEMBL: CHEMBL5183366
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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