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Ligand · B50

B50 · 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide

B50, 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide (C29 H37 Cl N4 O3, 525.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
B50
Formula
C29 H37 Cl N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

B50 in 2 structures; the first of them:

  • 3SPF · Crystal Structure of Bcl-xL bound to BM501 · B50 A501 · binds PHE97, TYR101, ALA104, PHE105, LEU108, VAL126, GLU129, LEU130 and 4 more
  • 3SPF · Crystal structure of BCL-xl bound to BM501 · B50 A501 · binds PHE97, TYR101, ALA104, PHE105, LEU108, VAL126, GLU129, LEU130 and 4 more

Residues it binds most

ALA 2, PHE 2, LEU 2, GLU 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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