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Ligand · P91

P91 · 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide

P91, 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide (C20 H15 Br Cl N3 O4, 476.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
P91
Formula
C20 H15 Br Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

P91 in 2 structures; the first of them:

  • 3CQE · Wee1 kinase complex with inhibitor PD074291 · P91 A901 · binds ILE305, GLY306, VAL313, ALA326, ILE327, LYS328, GLU346, VAL360 and 9 more
  • 3CQE · WEE1 kinase complex with inhibitor PD074291 · P91 A901 · binds ILE305, GLY306, VAL313, ALA326, ILE327, LYS328, GLU346, VAL360 and 9 more

Residues it binds most

ASP 2, GLU 2, GLY 2, ILE 2, VAL 2, ALA 2, ASN 2, CYS 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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