QZK

{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)

Created:	2014-06-24
Last modified:	2015-06-17

Find Related PDB Entry
1 entries where QZK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of QZK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
Systematic Name (OpenEye OEToolkits)	[[(4-phenylphenyl)sulfonylamino]-phosphono-methyl]phosphonic acid
Formula	C₁₃ H₁₅ N O₈ P₂ S
Molecular Weight	407.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NC(P(=O)(O)O)P(=O)(O)O)c2ccc(c1ccccc1)cc2
SMILES	CACTVS	3.385	O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
InChIKey	InChI	1.03	SZOCMHFDKYEXMY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3291009
PubChem	53361485
ChEMBL	CHEMBL3291009

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.