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Ligand · UMM

UMM · Tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1, 21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate

UMM, Tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1, 21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (C28 H42 N4 O7, 546.7 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
UMM
Formula
C28 H42 N4 O7
Class
ligand
Structures
3
PDB entries
2

Binding sites

UMM in 3 structures; the first of them:

  • 6X4M · Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl… · UMM A400 · binds ARG55, ILE57, PHE60, MET61, GLN63, GLY72, ALA101, ASN102 and 4 more
  • 6X3Y · Human cyclophilin a bound to a series of acylcic and macrocyclic inhibitors · UMM A600 · binds ARG55, ILE57, PHE60, MET61, GLN63, GLY72, ALA101, ASN102 and 4 more
  • 6X4M · Human cyclophilin a bound to a series of acylcic and macrocyclic inhibitors: tert-butyl… · UMM A400 · binds ARG55, ILE57, PHE60, MET61, GLN63, GLY72, ALA101, ASN102 and 4 more

Residues it binds most

ALA 3, GLN 3, PHE 3, ARG 3, ASN 3, GLY 3, HIS 3, ILE 3, MET 3 (residue and the binding sites it lines).

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