Ligand · O8Q

O8Q · 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl) ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

O8Q, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl) ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide (C36 H41 Cl N6 O3, 641.2 g/mol), in the MolNFT structures on GenesisL1…

Component: O8Q
Formula: C36 H41 Cl N6 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

O8Q in 2 structures; the first of them:

6Y4X · Crystal structure of p38 in complex with SR72 · O8Q A408 · binds VAL30, TYR35, VAL38, ALA51, LYS53, ARG67, GLU71, LEU74 and 20 more
6Y4X · Crystal structure of P38 in complex with SR72 · O8Q A408 · binds VAL30, TYR35, VAL38, ALA51, ARG67, GLU71, LEU74, LEU75 and 15 more

Residues it binds most

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

Found with

EDO · 1,2-ethanediol

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