Ligand · K90

K90 · 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine

K90, 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine (C14 H20 N4, 244.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component: K90
Formula: C14 H20 N4
Class: ligand
Structures: 3
PDB entries: 2

Binding sites

K90 in 3 structures; the first of them:

7TSM · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K90 A503 · binds SER246, GLN247, ARG250, PRO334, VAL336, PHE353, GLY355, TRP356 and 3 more
7TS4 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K90 A803 · binds PRO570, VAL572, ASN574, PHE589, SER590, GLY591, TRP592, TYR593 and 2 more
7TSM · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K90 A503 · binds SER246, GLN247, ARG250, PRO334, VAL336, PHE353, GLY355, TRP356 and 3 more

Residues it binds most

SER 12, TYR 12, GLU 12, GLY 12, PHE 12, PRO 12, TRP 12, VAL 12, GLN 8, MET 7 (residue and the binding sites it lines).

Found with

H4B · 5,6,7,8-tetrahydrobiopterin
HEM · Protoporphyrin IX containing Fe
ZN · Zinc ion
GOL · Glycerol
GD · Gadolinium atom
CL · Chloride ion
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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