26Z

4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

Created:	2011-04-28
Last modified:	2012-10-26

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1 entries where 26Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of 26Z

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Chemical Component Summary
Name	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[[5-(3-aminophenyl)carbonyl-4-azanyl-1,3-thiazol-2-yl]amino]benzenesulfonamide
Formula	C₁₆ H₁₅ N₅ O₃ S₂
Molecular Weight	389.452
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3
SMILES	CACTVS	3.370	Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
SMILES	OpenEye OEToolkits	1.7.2	c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
Canonical SMILES	CACTVS	3.370	Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
InChI	InChI	1.03	InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
InChIKey	InChI	1.03	XNRIWHPUEZHUFJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66553071
ChEMBL	CHEMBL2377820

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.