Ligand · K30

K30 · (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide

K30, (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (C25 H28 F3 N3 O2, 459.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: K30
Formula: C25 H28 F3 N3 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

K30 in 2 structures; the first of them:

3CJO · Crystal structure of KSP in complex with inhibitor 30 · K30 A1 · binds MET115, GLU116, GLY117, GLU118, ARG119, TRP127, ALA133, ILE136 and 9 more
3CJO · Crystal structure of ksp in complex with inhibitor 30 · K30 A1 · binds MET115, GLU116, GLY117, GLU118, ARG119, TRP127, ALA133, ILE136 and 9 more

Residues it binds most

GLU 4, ALA 4, ARG 4, GLY 4, LEU 4, ILE 4, PHE 4, PRO 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

ADP · Adenosine-5'-diphosphate
MG · Magnesium ion

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