SEQ2FUN

BioLiP

PDB CCD ID: E2Q
Number of entries in BioLiP: 21
Chemical formula: C12 H8 N4 O6 S
InChI: InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
InChIKey: UQNAFPHGVPVTAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]
Name:6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
ChEMBL: CHEMBL222519
ZINC: ZINC000008585017
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).