+Search query
-Structure paper
Title | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach |
---|---|
Journal, issue, pages | J Chem Inf Model, Vol. 57, Page 2996-3010, Year 2017 |
Publish date | May 18, 2017 (structure data deposition date) |
![]() | Watanabe, C. / Watanabe, H. / Fukuzawa, K. / Parker, L.J. / Okiyama, Y. / Yuki, H. / Yokoyama, S. / Nakano, H. / Tanaka, S. / Honma, T. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 2 - 2.2 Å |
Structure data | ![]() PDB-5vua: ![]() PDB-5vub: ![]() PDB-5vuc: |
Chemicals | ![]() ChemComp-GOL: ![]() ChemComp-PO4: ![]() ChemComp-8GX: ![]() ChemComp-HOH: ![]() ChemComp-8GU: ![]() ChemComp-8GR: |
Source |
|
![]() | TRANSFERASE / Pim1 kinase / kinase inhibitor |