07Z

4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid

Created:	2011-04-18
Last modified:	2012-10-26

Find Related PDB Entry
1 entries where 07Z 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	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	17

2D diagram of 07Z

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[(4-azanyl-5-pyridin-3-ylcarbonyl-1,3-thiazol-2-yl)amino]benzoic acid
Formula	C₁₆ H₁₂ N₄ O₃ S
Molecular Weight	340.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)C(O)=O)sc1C(=O)c3cccnc3
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)C(O)=O)sc1C(=O)c3cccnc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N
InChI	InChI	1.03	InChI=1S/C16H12N4O3S/c17-14-13(12(21)10-2-1-7-18-8-10)24-16(20-14)19-11-5-3-9(4-6-11)15(22)23/h1-8H,17H2,(H,19,20)(H,22,23)
InChIKey	InChI	1.03	GCUAWHJDWUEGRV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73347326
ChEMBL	CHEMBL2377828

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.