SEQ2FUN

BioLiP

PDB CCD ID: IXM
Number of entries in BioLiP: 5
Chemical formula: C16 H11 N3 O2
InChI: InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+
InChIKey: HBDSHCUSXQATPO-BGBJRWHRSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2C(\c1ccccc1N2)=C4\C(=N\O)\c3ccccc3N4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2
CACTVS 3.341ON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34
CACTVS 3.341O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2
Name:(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME;
INDIRUBIN-3'-MONOXIME
ChEMBL: CHEMBL216543
DrugBank: DB02052
ZINC: ZINC000100001998
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).