BioLiP

PDB

BioLiP

PDB CCD ID:

IWL

Number of entries in BioLiP:

Chemical formula:

O35 W11

InChI:

InChI=1S/18H2O.17O.11W/h18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;6*+2;+3/p-18

InChIKey:

CUINPWXZLQHQKU-UHFFFAOYSA-A

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[O][W]1(O[W]2(O1[W]345(O2[W]678(O391[W]2(O4)(O6[W]34(O2[W]9269O73[W]3(O4)(O2[W]2(O3)(O63[W]1(O5)(O8)(O[W]3(O2)(O9)([O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])[O])[O])([O])([O])[O])[O]
CACTVS 3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[W]O[W]1O[W]23(O1)O[W]4O[W]56O[W]78O[W]9(O7)O[W]%10%11O[W]%12(O[W]%13(O5)[O]24[W](O%10)([O]9%11%12)[O]68%13)O3

Name:

W11-O35 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).