Ligand · QWT
QWT · 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one
QWT, 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one (C30 H38 N6 O4, 546.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- QWT
- Formula
- C30 H38 N6 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
QWT in 4 structures; the first of them:
- 7A28 · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617 · QWT A1001 · binds TYR668, HIS669, MET785, ILE823, ASN825, SER833, TRP836, ALA837 and 9 more
- 7AAG · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617 · QWT A503 · binds TYR159, HIS160, MET273, LEU319, ASN321, TYR329, TRP332, THR333 and 10 more
- 7A28 · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-617 · QWT A1001 · binds MET785, ILE823, ASN825, ALA837, VAL840, MET861, GLY873, GLN874 and 4 more
- 7AAG · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor npd-617 · QWT A503 · binds TYR159, HIS160, MET273, LEU319, ASN321, ILE336, PHE340, MET357 and 6 more
Residues it binds most
MET 12, PHE 12, TYR 11, ILE 12, GLY 12, ASN 12, GLN 12, HIS 10, LEU 10, SER 9 (residue and the binding sites it lines).
Found with
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