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Ligand · 759

759 · (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

759, (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-bu…

Component
759
Formula
C49 H62 Cl N9 O8 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

759 in 2 structures; the first of them:

  • 8R5H · Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34… · 759 H301 · binds TRP374, PRO375, PHE376, VAL380, GLU383, LEU385, GLY386, LEU387 and 18 more
  • 8RX0 · (NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub · 759 B301 · binds PRO375, LEU385, CYS429, TYR432, ASN433, GLU438, VAL439, PRO99 and 5 more

Residues it binds most

TYR 2, HIS 2, LEU 2, PRO 2, GLU 2, TRP 1, VAL 2, ARG 2, ASN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SY8 · 5-azanylpentan-2-one

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