HM5

3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE

Created:	2006-11-09
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where HM5 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

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	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	11

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
Formula	C₁₄ H₁₆ N₄ O₂ S
Molecular Weight	304.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2
SMILES	CACTVS	3.341	CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2
Canonical SMILES	CACTVS	3.341	CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2
InChI	InChI	1.03	InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKey	InChI	1.03	CAVCWRXFMNCBCM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07903
Name	3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
Groups	experimental
Synonyms	3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methionine aminopeptidase 1	MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682