Ligand · X5Y

X5Y · tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

X5Y, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate (C31 H39 N3 O3 S, 533.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: X5Y
Formula: C31 H39 N3 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

X5Y in 2 structures; the first of them:

7KVH · Human CYP3A4 bound to an inhibitor · X5Y A602 · binds ARG105, PHE108, SER119, ILE120, LEU210, LEU211, PHE213, PHE241 and 7 more
7KVH · Human CYP3A4 bound to an inhibitor · X5Y A602 · binds ARG105, PHE108, SER119, ILE120, LEU210, LEU211, PHE213, PHE241 and 7 more

Residues it binds most

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

Found with

HEM · Protoporphyrin IX containing Fe

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