Ligand · B6I

B6I · 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one

B6I, 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one (C21 H28 N8 O, 408.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component: B6I
Formula: C21 H28 N8 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

B6I in 2 structures; the first of them:

7QG2 · IRAK4 in complex with inhibitor · B6I A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, TYR262, VAL263, TYR264 and 11 more
7QG2 · IRAK4 in complex with inhibitor · B6I A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, TYR262, VAL263, TYR264 and 11 more

Residues it binds most

VAL 8, GLY 8, MET 8, SER 8, TYR 8, GLU 8, ALA 8, ARG 8, ASN 8, ASP 4 (residue and the binding sites it lines).

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