Ligand · MVE

MVE · Cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

MVE, Cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone (C30 H40 N6 O2, 516.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: MVE
Formula: C30 H40 N6 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

MVE in 1 structure; the first of them:

6T8N · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 · MVE A604 · binds GLU212, VAL214, TYR219, VAL222, ALA233, LYS235, LEU263, THR283 and 12 more

Residues it binds most

LEU 2, ALA 2, ASP 2, HIS 2, LYS 2, TYR 2, VAL 2, GLU 2, ASN 2, GLY 2 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion
DMS · Dimethyl sulfoxide
EDO · 1,2-ethanediol
TLA · L(+)-tartaric acid

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