Ligand · J2E
J2E · 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4, 4-dimethyl-4,5-dihydro-1H-pyrazol-5-one
J2E, 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4, 4-dimethyl-4,5-dihydro-1H-pyrazol-5-one (C24 H34 N2 O3, 398.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- J2E
- Formula
- C24 H34 N2 O3
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
J2E in 4 structures; the first of them:
- 6QGP · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769 · J2E B1009 · binds TYR668, HIS669, MET785, ILE823, ASN825, TRP836, ALA837, VAL840 and 6 more
- 7ABE · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-769 · J2E A519 · binds TYR159, HIS160, MET273, LEU319, ASN321, TYR329, TRP332, THR333 and 7 more
- 6QGP · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-0769 · J2E B1009 · binds HIS669, MET785, ILE823, ASN825, ALA837, VAL840, PHE844, MET861 and 2 more
- 7ABE · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor npd-769 · J2E A519 · binds TYR159, HIS160, MET273, ASN321, THR333, ILE336, MET337, PHE340 and 4 more
Residues it binds most
MET 10, PHE 10, TYR 9, ILE 10, ASN 10, GLN 10, HIS 10, THR 9, SER 8, TRP 8 (residue and the binding sites it lines).
Found with
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