BioLiP

PDB

BioLiP

PDB CCD ID:

IBL

Number of entries in BioLiP:

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

InChIKey:

AIRZFEKQGRSBNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)/N=N\c2cc(c(c(c2)OC)OC)OC

Name:

Azo-Combretastatin A4 (cis);
2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol

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).