qFit model

PDB 3R4P|dpdb_6x653beb

qFit model

Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
4,325
Residues
444
Protein chains
2
Alternate-location fraction
2.93%
Ligands
FU7, PO4

Evaluations

R-work
0.165
R-free
0.211
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Heat shock protein HSP 90-alpha226
  • Constructunp residues 9-225

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations