SEQ2FUN

BioLiP

PDB CCD ID: A1L38
Number of entries in BioLiP: 2
Chemical formula: C12 H9 Cl N2 O3
InChI: InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
InChIKey: DDBMQDADIHOWIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-]
Name:Aclonifen;
2-chloranyl-6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-3-phenoxy-aniline
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).