Ligand · SO9

SO9 · (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl) anilino]thieno[3,2-d]pyrimidin-4-yl}amino) bicyclo[2.2.1]hept-5-ene-2-carboxamide

SO9, (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl) anilino]thieno[3,2-d]pyrimidin-4-yl}amino) bicyclo[2.2.1]hept-5-ene-2-carboxamide (C25 H26 N6 O2 S, 474.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: SO9
Formula: C25 H26 N6 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

SO9 in 2 structures; the first of them:

8DKS · IRAK4 in complex with compound #3 · SO9 A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, TYR262, VAL263 and 13 more
8DKS · IRAK4 in complex with compound #3 · SO9 A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, TYR262, VAL263 and 13 more

Residues it binds most

GLY 4, ALA 4, ASN 4, ASP 4, MET 4, TYR 4, VAL 4, ARG 4, GLU 4, LEU 4 (residue and the binding sites it lines).

Found with

BME · Beta-mercaptoethanol

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