PDBsum entry 2jiv

Ligand/metal interactions

PDB id

2jiv


	2 instances of ligand highlighted
	HKI

Ligands

HKI ×2

HKI 1797(A)

Metals

_CL ×2

CL 1985(B)

CL 1984(B)

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: C₃₀H₃₁ClN₆O₃

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
HKI 1797(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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LIGPLOT of interactions involving ligand HKI

List of
interactions

HKI 1797(A)

(also representing equivalent ligand HKI 1797(B) )