Ligand · O8W

O8W · 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

O8W, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide (C32 H42 N6 O3, 558.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: O8W
Formula: C32 H42 N6 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

O8W in 2 structures; the first of them:

6Y4T · Crystal structure of p38 in complex with SR63. · O8W A401 · binds TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75, VAL83 and 14 more
6Y4T · Crystal structure of P38 in complex with SR63. · O8W A401 · binds TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75, VAL83 and 14 more

Residues it binds most

LEU 2, ILE 2, ALA 2, GLY 2, HIS 2, VAL 2, ASP 2, GLU 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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