Ligand · 58P

58P · 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile

58P, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile (C26 H27 F3 N6 O2 S, 544.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component: 58P
Formula: C26 H27 F3 N6 O2 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

58P in 1 structure; the first of them:

5DB0 · Menin in complex with MI-352 · 58P A610 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 13 more

Residues it binds most

GLU 1, TYR 1, ALA 1, MET 1, SER 1, VAL 1, ASP 1, CYS 1, GLY 1, HIS 1 (residue and the binding sites it lines).

Found with

6E6 · 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide
PG4 · Tetraethylene glycol

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