Ligand · HR4

HR4 · (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide

HR4, (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide (C17 H17 F N5 O5 P S2, 485.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: HR4
Formula: C17 H17 F N5 O5 P S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

HR4 in 2 structures; the first of them:

4MH0 · Selective activation of Epac1 and Epac2 · HR4 E1001 · binds PHE367, VAL386, ILE388, VAL394, CYS395, THR396, LEU397, ASP401 and 17 more
4MH0 · Selective activation of EPAC1 and EPAC2 · HR4 E1001 · binds PHE367, VAL386, ILE388, VAL394, CYS395, THR396, LEU397, ASP401 and 17 more

Residues it binds most

VAL 4, GLY 4, LEU 2, LYS 4, ALA 2, ILE 4, ARG 2, PHE 2, SER 2, ASN 2 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion

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