Ligand · 06A

06A · 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one

06A, 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one (C19 H25 F N6 O2, 388.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: 06A
Formula: C19 H25 F N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

06A in 2 structures; the first of them:

7F0I · phosphodiesterase-9A in complex with inhibitor 4b · 06A A603 · binds PHE251, HIS252, MET365, ASP402, ILE403, ASN405, GLU406, LEU420 and 5 more
7F0I · Phosphodiesterase-9A in complex with inhibitor 4B · 06A A603 · binds PHE251, MET365, ILE403, LEU420, TYR424, PHE441, ALA452, GLN453 and 1 more

Residues it binds most

PHE 4, ALA 4, GLN 4, LEU 4, MET 4, TYR 4, ASN 3, HIS 3, ILE 3, ASP 2 (residue and the binding sites it lines).

Found with

MG · Magnesium ion
ZN · Zinc ion

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