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Ligand · XWP

XWP · N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide

XWP, N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide (C32 H30 N6 O3, 546.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
XWP
Formula
C32 H30 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XWP in 2 structures; the first of them:

  • 7L9A · Crystal structure of BRDT bromodomain 2 in complex with CDD-1102 · XWP A401 · binds TRP292, PRO293, PHE294, VAL298, LEU303, LEU305, HIS306, ASN307 and 10 more
  • 7L9A · Crystal structure of brdt bromodomain 2 in complex with cdd-1102 · XWP A401 · binds TRP292, PRO293, PHE294, VAL298, LEU303, LEU305, HIS306, TYR308 and 8 more

Residues it binds most

VAL 4, ASN 4, TYR 4, HIS 4, LEU 4, PRO 4, CYS 4, PHE 4, TRP 4, ARG 2 (residue and the binding sites it lines).

Found with

  • BME · Beta-mercaptoethanol

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