BioLiP

PDB

BioLiP

PDB CCD ID:

IWZ

Number of entries in BioLiP:

Chemical formula:

O37 W10

InChI:

InChI=1S/18H2O.19O.10W/h18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;6*+2;+3/p-18

InChIKey:

XZFCWADLFDSAET-UHFFFAOYSA-A

SMILES:

Software	SMILES
CACTVS 3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]4O[W]15O[W]6O[W]78O[W]9(O6)O[W]%10(O4)(O5)O[W](O2)(O9)(O[W](O3)(O7)O8)O%10
OpenEye OEToolkits 2.0.7	[O][W]12(O3[W]45(O[W]36(O[W]78(O1[W]9(O7)(O[W]13(O2[W](O1)(O4)(O[W]12(O5)(O[W]4(O6)(O8)(O1[W](O3)(O9)(O2)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]

Name:

W10-O37 cluster

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).