BioLiP

PDB

BioLiP

PDB CCD ID:

VZI

Number of entries in BioLiP:

Chemical formula:

C26 H20 N4 O5

InChI:

InChI=1S/C26H20N4O5/c31-22-12-17(10-11-24(22)34-20-7-2-1-3-8-20)15-30-16-19(28-29-30)14-27-25(32)21-13-18-6-4-5-9-23(18)35-26(21)33/h1-13,16,31H,14-15H2,(H,27,32)

InChIKey:

VYCONRDQVKDCGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(Cn2cc(CNC(=O)C3=Cc4ccccc4OC3=O)nn2)ccc1Oc5ccccc5
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc(cc2O)Cn3cc(nn3)CNC(=O)C4=Cc5ccccc5OC4=O

Name:

2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide

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).