Ligand · B8I

B8I · methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate

B8I, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate (C25 H32 N10 O3, 520.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: B8I
Formula: C25 H32 N10 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

B8I in 2 structures; the first of them:

7QG1 · IRAK4 in complex with inhibitor · B8I A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 11 more
7QG1 · IRAK4 in complex with inhibitor · B8I A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 11 more

Residues it binds most

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

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