Ligand · X6V

X6V · tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

X6V, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate (C33 H40 N4 O3 S, 572.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: X6V
Formula: C33 H40 N4 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

X6V in 2 structures; the first of them:

7KVN · Human CYP3A4 bound to an inhibitor · X6V A602 · binds ARG105, PHE108, SER119, ILE120, LEU210, LEU211, PHE213, PHE241 and 6 more
7KVN · Human CYP3A4 bound to an inhibitor · X6V A602 · binds ARG105, PHE108, SER119, ILE120, LEU210, LEU211, PHE213, PHE241 and 6 more

Residues it binds most

PHE 4, ILE 4, LEU 4, ALA 4, ARG 2, SER 4, THR 4 (residue and the binding sites it lines).

Found with

HEM · Protoporphyrin IX containing Fe

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