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Ligand · LU8

LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine

LU8, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine (C27 H32 N2 O3, 432.6 g/mol), in the MolNFT structures on GenesisL1: bound in 86 records (45 PDB entries). Every binding site with its residues within…

Component
LU8
Formula
C27 H32 N2 O3
Class
ligand
Structures
86
PDB entries
45

Binding sites

LU8 in 86 structures; the first of them:

  • 5S75 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263 and 13 more
  • 5S76 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a · LU8 A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 13 more
  • 5S77 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263 and 13 more
  • 5S78 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, LYS235, LEU281, THR283, HIS284 and 9 more
  • 5S79 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a · LU8 A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 13 more
  • 5S7A · XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, VAL234, LYS235, LEU263, LEU281 and 13 more
  • 5S7B · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d · LU8 A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 13 more
  • 5S7C · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263 and 13 more
  • 5S7D · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a · LU8 A501 · binds GLU212, VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263 and 14 more
  • 5S7E · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a · LU8 A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 13 more

Residues it binds most

ALA 255, VAL 255, LEU 172, LYS 172, HIS 172, ASP 211, GLU 163, ARG 137, ILE 139, THR 175 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide
  • TLA · L(+)-tartaric acid
  • TAR · D(-)-tartaric acid
  • 02A · (2S)-azetidine-2-carboxylic acid
  • 09V · cyclopropylmethanol
  • BAQ · pyrrolidin-2-one
  • BYZ · 4-bromo-1H-pyrazole
  • HUH · 1~{H}-1,2,3-triazole
  • HV2 · 1,1-bis(oxidanylidene)thietan-3-ol
  • HVB · 1-azanylpropylideneazanium

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