BioLiP

PDB

BioLiP

PDB CCD ID:

T7K

Number of entries in BioLiP:

Chemical formula:

C21 H29 N4 O7 Yb

InChI:

InChI=1S/C21H32N4O7.Yb/c26-18-3-1-17(2-4-18)13-22-5-7-23(14-19(27)28)9-11-25(16-21(31)32)12-10-24(8-6-22)15-20(29)30;/h1-4,26H,5-16H2,(H,27,28)(H,29,30)(H,31,32);/q;+7/p-3

InChIKey:

CKUMJXQWUQKKED-UHFFFAOYSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O
CACTVS 3.385	Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Yb](OC(=O)C4)OC(=O)C3)cc1

Name:

neutral Yb(III)-caged complex;
8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione;
Yb(III) clathrochelate

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).