Literature summary for 2.7.12.2 extracted from

Khanam, U.; Malik, B.; Mathur, P.; Rathi, B.
Identification of novel inhibitors for mitogen-activated protein kinase kinase 4 by virtual screening and molecular dynamics simulation techniques (2016), Int. J. Pharm. Pharm. Sci., 8, 262-268 .

No PubMed abstract available

Search for more literature for 2.7.12.2

Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular dynamics simulation of inhibitors ZINC06091752-MKK4 and ZINC00391412-MKK4 complexes reveals stable and potential binding modes. Residues Lys 231 and Ser 233 show hydrogen bonding between ligand and receptor whereas Lys 131 and Lys 231 making ionic interactions between ligand and MKK4	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
ZINC00142380	i.e. 1-methyl-1H-indole-2-carboxylic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC00167997	i.e. 2-[(2-carboxyethyl)amino]benzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC00388545	i.e. 2,6-dihydroxybenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC00389778	i.e. 2,4,6-trihydroxybenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC00391412	i.e. 2,6-dihydroxy-4-methylbenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC01641166	i.e. 2,4,5-trihydroxybenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC02349698	i.e. 7-chloro-1H-indole-2-carboxylic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC06091752	i.e. 2,3,6-trihydroxybenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC13526482	i.e. 2,5-dihydroxy-4-methylbenzoic acid, inhibitor obtained from virtual screening	Homo sapiens
ZINC14817730	i.e. (2,4,6-trihydroxyphenyl)acetic acid, inhibitor obtained from virtual screening	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P45985	-	-

Synonyms

Synonyms	Comment	Organism
MAP2K4	-	Homo sapiens
mitogen-activated protein kinase kinase 4	-	Homo sapiens
MKK4	-	Homo sapiens

Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.

Release 2023.1 (January 2023)