Ligand · O98

O98 · 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

O98, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide (C33 H44 N6 O3, 572.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: O98
Formula: C33 H44 N6 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

O98 in 2 structures; the first of them:

6Y4U · Crystal structure of p38 in complex with SR65 · O98 A401 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75 and 17 more
6Y4U · Crystal structure of P38 in complex with SR65 · O98 A401 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75 and 17 more

Residues it binds most

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

Found with

EDO · 1,2-ethanediol

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