CK6

4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL

Created:	2003-07-11
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where CK6 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	39
Aromatic Bond Count	18

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Systematic Name (OpenEye OEToolkits)	4-[[4-(4-methyl-2-methylamino-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
Formula	C₁₅ H₁₅ N₅ O S
Molecular Weight	313.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c(sc1NC)c2nc(ncc2)Nc3ccc(O)cc3)C
SMILES	CACTVS	3.341	CNc1sc(c(C)n1)c2ccnc(Nc3ccc(O)cc3)n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O
Canonical SMILES	CACTVS	3.341	CNc1sc(c(C)n1)c2ccnc(Nc3ccc(O)cc3)n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
InChIKey	InChI	1.03	OTMLAWRVLMYMDF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04407
Name	4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
Groups	experimental
Synonyms	4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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