Ligand · O2B

O2B · 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

O2B, 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (C28 H33 N9 O, 511.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: O2B
Formula: C28 H33 N9 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

O2B in 2 structures; the first of them:

6XV3 · Crystal structure of BRD4-BD1 with compound 3 · O2B A4000 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LYS91, LEU92, LEU94 and 6 more
6XV3 · Crystal structure of BRD4-BD1 with compound 3 · O2B A4000 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LYS91, LEU92, LEU94 and 6 more

Residues it binds most

LEU 8, TYR 8, ASN 8, CYS 8, GLN 8, ILE 8, PHE 8, PRO 8, TRP 8, VAL 8 (residue and the binding sites it lines).

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