PDBsum entry 4flp

Ligand/metal interactions

PDB id

4flp


	2 instances of ligand highlighted
	JQ1

Ligands

JQ1 ×2

JQ1 201(A)

Metals

__K

K 202(B)

Ligand JQ1 - (6s)-6-(2-Tert-Butoxy-2-Oxoethyl)-4-(4-Chlorophenyl)-
2, 3,9-Trimethyl-6,7-Dihydrothieno[3,2-
F][1,2, 4]triazolo[4,3-A][1,4]diazepin-10-Ium
Formula: C₂₃H₂₆ClN₄O₂S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
JQ1 201(A)	31	31	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 JQ1

List of
interactions

JQ1 201(A)

(also representing equivalent ligand JQ1 201(B) )