Ligand · 52R

52R · N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4, 3-c]pyrimidine-5,8-diamine

52R, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4, 3-c]pyrimidine-5,8-diamine (C19 H19 F N8 O, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: 52R
Formula: C19 H19 F N8 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

52R in 2 structures; the first of them:

7P3G · EED in complex with compound 4 · 52R B501 · binds PRO95, PHE97, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365 and 4 more
7P3G · Eed in complex with compound 4 · 52R B501 · binds PHE97, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365, MET366 and 2 more

Residues it binds most

ARG 2, TYR 2, ASP 2, ASN 2, LEU 2, LYS 2, MET 2, PHE 2, PRO 1 (residue and the binding sites it lines).

Found with

L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

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