Ligand · S8W

S8W · ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide

S8W, ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide (C22 H24 N8 O, 416.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: S8W
Formula: C22 H24 N8 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

S8W in 2 structures; the first of them:

7AYA · Crystal structure of CK2 bound by compound 9 · S8W A419 · binds LEU45, GLY46, ARG47, GLY48, SER51, VAL53, VAL66, LYS68 and 10 more
7AYA · Crystal structure of CK2 bound by compound 9 · S8W A419 · binds LEU45, GLY46, ARG47, GLY48, SER51, VAL53, VAL66, LYS68 and 10 more

Residues it binds most

VAL 4, ASN 4, GLY 4, ILE 4, ARG 4, LYS 4, ASP 4, GLU 4, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion
EDO · 1,2-ethanediol

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