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BioLiP Library

PDB CCD ID: VYT
Number of entries in BioLiP: 14
Chemical formula: C16 H18 N2 O5
InChI: InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3/b18-17+
InChIKey: AIRZFEKQGRSBNX-ISLYRVAYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)/N=N/c2cc(c(c(c2)OC)OC)OC
CACTVS 3.385COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC
Name:Azo-Combretastatin A4 (trans);
2-methoxy-5-[(E)-(3,4,5-trimethoxyphenyl)diazenyl]phenol
ChEMBL: CHEMBL4165093
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)(download the PDF file).
  • 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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