Ligand · MRV

MRV · 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide

MRV, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide (C29 H41 F2 N5 O, 513.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: MRV
Formula: C29 H41 F2 N5 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

MRV in 2 structures; the first of them:

4MBS · Crystal Structure of the CCR5 Chemokine Receptor · MRV A1101 · binds TYR37, TRP86, TYR89, TYR108, PHE109, PHE112, PHE182, LYS191 and 11 more
4MBS · Crystal structure of the CCR5 chemokine receptor · MRV A1101 · binds TYR37, TRP86, TYR89, TYR108, PHE109, PHE112, PHE182, LYS191 and 11 more

Residues it binds most

TYR 4, THR 4, PHE 4, MET 4, TRP 4, GLN 4, GLU 4, ILE 4, LEU 4, LYS 4 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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