Ligand · X9S

X9S · 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

X9S, 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (C32 H36 N8 O3, 580.7 g/mol), in the MolNFT structures on GenesisL1…

Component: X9S
Formula: C32 H36 N8 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

X9S in 2 structures; the first of them:

7KXO · BTK1 soaked with compound 24 · X9S A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 17 more
7KXO · BTK1 soaked with compound 24 · X9S A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 17 more

Residues it binds most

GLY 2, LEU 2, ALA 2, ASN 2, ASP 2, SER 2, THR 2, TYR 2, VAL 2, GLN 2 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide

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