SEQ2FUN

BioLiP

PDB CCD ID: 6J1
Number of entries in BioLiP: 1
Chemical formula: C7 H6 N2 O5
InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3
InChIKey: HOYRZHJJAHRMLL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]
CACTVS 3.385Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O
Name:2,6-Dinitro-p-cresol
ChEMBL: CHEMBL3183545
ZINC: ZINC000001665962
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).