BioLiP

PDB

BioLiP

PDB CCD ID:

CD3

Number of entries in BioLiP:

Chemical formula:

Cd H6 O3

InChI:

InChI=1/Cd.3H2O/h;3*1H2/q+2;;;/rCdH6O3/c2-1(3)4/h2-4H2/q+2

InChIKey:

NGHYQUMORBCTRL-SDPWMMMHAT

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[OH2][Cd+2]([OH2])[OH2]
CACTVS 3.341	O\|[Cd++](\|O)\|O

Name:

CADMIUM ION, 3 WATERS COORDINATED

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).