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PDBsum entry 3w2q
Go to PDB code:
Ligand/metal interactions
PDB id
3w2q
Ligand highlighted
HKI
Ligands
HKI
HKI 1101(A)
MES
MES 1102(A)
Ligand
HKI
-
N-(4-{[3-Chloro-4-(Pyridin-2-Ylmethoxy)phenyl]amino}-3-
Cyano-7-Ethoxyquinolin-6-Yl)-4-(Dimethylamino) butanamide
[Neratinib (hki-272), Bound form]
Formula:
C
30
H
31
ClN
6
O
3
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
HKI 1101(A)
40
40
0
0
Complete
Chiral checks - OK
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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HKI 1101(A)
