Ligand · BBY

BBY · 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine

BBY, 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine (C11 H10 Br N3 O2, 296.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component: BBY
Formula: C11 H10 Br N3 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BBY in 2 structures; the first of them:

3AO5 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · BBY A213 · binds TYR83, TRP108, ASN184, HIS185, ARG187, SER195, GLY197, GLU198 and 8 more
3AO5 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · BBY A213 · binds TYR83, TRP108, ASN184, HIS185, ARG187, SER195, GLY197, GLU198 and 8 more

Residues it binds most

ARG 4, GLY 4, ILE 4, TRP 4, ASN 4, GLU 4, HIS 4, PRO 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

CD · Cadmium ion
FRU · beta-D-fructofuranose
GLC · alpha-D-glucopyranose
CL · Chloride ion
SO4 · Sulfate ion

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