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Ligand · BNB

BNB · N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide

BNB, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide (C36 H41 N7 O3, 619.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
BNB
Formula
C36 H41 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

BNB in 2 structures; the first of them:

  • 6EP9 · Crystal structure of BTK kinase domain complexed with… · BNB A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 19 more
  • 6EP9 · Crystal structure of btk kinase domain complexed with N-[2-methyl-3… · BNB A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 16 more

Residues it binds most

GLY 2, LEU 2, VAL 2, ALA 2, ASN 2, ASP 2, THR 2, TYR 2, SER 2, GLN 2 (residue and the binding sites it lines).

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