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Ligand · MWV

MWV · (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl) amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate

MWV, (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl) amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate (C29 H38 F N3 O3, 495.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2…

Component
MWV
Formula
C29 H38 F N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

MWV in 2 structures; the first of them:

  • 6OO9 · Human CYP3A4 bound to a drug mibefradil · MWV A602 · binds PHE57, SER119, ARG212, PHE213, PHE215, ILE301, PHE304, ALA305 and 6 more
  • 7WLJ · Cryoem structure of human low-voltage activated T-type calcium channel CAV3.3 in complex… · MWV A2301 · binds PHE387, ASN391, LEU394, PHE815, LEU818, THR819, ASN850, PHE854 and 7 more

Residues it binds most

PHE 2, ILE 2, LEU 1, ALA 1, ARG 1, ASN 1, SER 2, THR 2, VAL 1, GLN 1 (residue and the binding sites it lines).

Found with

  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • HEM · Protoporphyrin IX containing Fe
  • Y01 · Cholesterol hemisuccinate
  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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