PDBsum entry 4f09

Transferase/transferase inhibitor

PDB id: 4f09

Contents

Protein chain

290 a.a.

Ligands

JAK

Waters ×91

PDB id:

4f09

Name:

Transferase/transferase inhibitor

Title:

Discovery and optimization of c-2 methyl imidazo-pyrrolopyridines as potent and orally bioavailable jak1 inhibitors with selectivity over jak2

Structure:

Tyrosine-protein kinase jak2. Chain: a. Fragment: unp residues 833-1132. Synonym: janus kinase 2, jak-2. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: jak2 kinase domain. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

2.40Å R-factor: 0.198 R-free: 0.254

Authors:

J.M.Murray

Key ref:

M.Zak et al. (2012). Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J Med Chem, 55, 6176-6193. PubMed id: 22698084

Date:

03-May-12 Release date: 04-Jul-12

Protein chain

O60674  (JAK2_HUMAN) -  Tyrosine-protein kinase JAK2 from Homo sapiens

Seq: 1132 a.a.

Struc: 290 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.10.2 - non-specific protein-tyrosine kinase.
• Reaction: L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

J Med Chem 55:6176-6193 (2012)

PubMed id: 22698084

Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.

M.Zak, R.Mendonca, M.Balazs, K.Barrett, P.Bergeron, W.S.Blair, C.Chang, G.Deshmukh, J.Devoss, P.S.Dragovich, C.Eigenbrot, N.Ghilardi, P.Gibbons, S.Gradl, C.Hamman, E.J.Hanan, E.Harstad, P.R.Hewitt, C.A.Hurley, T.Jin, A.Johnson, T.Johnson, J.R.Kenny, M.F.Koehler, P.Bir Kohli, J.J.Kulagowski, S.Labadie, J.Liao, M.Liimatta, Z.Lin, P.J.Lupardus, R.J.Maxey, J.M.Murray, R.Pulk, M.Rodriguez, S.Savage, S.Shia, M.Steffek, S.Ubhayakar, M.Ultsch, A.van Abbema, S.I.Ward, L.Xiao, Y.Xiao.

ABSTRACT

No abstract given.