6M9L
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Mitogen-activated protein kinase 14 | polymer | 388 | 44704.7 | 1 | UniProt (Q16539) Pfam (PF00069) In PDB | Homo sapiens (Human) | MAPK 14,Cytokine suppressive anti-inflammatory drug-binding protein,CSBP,MAP kinase MXI2,MAX-interacting protein 2,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha,Stress-activated protein kinase 2a,SAPK2a |
2 | A | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one | non-polymer | 352.3 | 1 | Chemie (J9G) | |||
3 | water | water | 18.0 | 156 | Chemie (HOH) |
Sequence modifications
A: 1 - 360 (UniProt: Q16539)
PDB | External Database | Details |
---|---|---|
Met -27 | - | expression tag |
Ser -26 | - | expression tag |
Tyr -25 | - | expression tag |
Tyr -24 | - | expression tag |
His -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
Asp -17 | - | expression tag |
Tyr -16 | - | expression tag |
Asp -15 | - | expression tag |
Ile -14 | - | expression tag |
Pro -13 | - | expression tag |
Thr -12 | - | expression tag |
Thr -11 | - | expression tag |
Glu -10 | - | expression tag |
Asn -9 | - | expression tag |
Leu -8 | - | expression tag |
Tyr -7 | - | expression tag |
Phe -6 | - | expression tag |
Gln -5 | - | expression tag |
Gly -4 | - | expression tag |
Ala -3 | - | expression tag |
Met -2 | - | expression tag |
Gly -1 | - | expression tag |
Ser 0 | - | expression tag |
Ser 162 | Cys 162 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 44704.7 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 352.3 | |
All* | Total formula weight | 45057.1 |