Ligand · E4Q

E4Q · 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid

E4Q, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid (C34 H35 N5 O3 S, 593.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: E4Q
Formula: C34 H35 N5 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

E4Q in 2 structures; the first of them:

6FS1 · MCL1 in complex with an indole acid ligand · E4Q A401 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more
6FS1 · MCL1 in complex with an indole acid ligand · E4Q A401 · binds ALA227, PHE228, MET231, LEU235, VAL249, MET250, VAL253, ARG263 and 6 more

Residues it binds most

LEU 4, PHE 4, VAL 4, MET 4, ALA 4, ARG 4, GLY 4, ILE 4, THR 4, HIS 2 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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