BioLiP

PDB

BioLiP

PDB CCD ID:

VZR

Number of entries in BioLiP:

Chemical formula:

C26 H21 N3 O5

InChI:

InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3

InChIKey:

ZRIHXCXHNUJXDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12
OpenEye OEToolkits 2.0.7	CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5

Name:

4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one

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).