Ligand · 9WA

9WA · (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl) phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol

9WA, (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl) phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol (C31 H24 Cl F3 N6 O2, 605.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: 9WA
Formula: C31 H24 Cl F3 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

9WA in 2 structures; the first of them:

5W4V · Structure of RORgt bound to a tertiary alcohol · 9WA A501 · binds LEU287, CYS320, HIS323, LEU324, VAL361, MET365, VAL376, PHE377 and 10 more
5W4V · Structure of rorgt bound to a tertiary alcohol · 9WA A501 · binds LEU287, CYS320, HIS323, LEU324, VAL361, MET365, VAL376, PHE377 and 10 more

Residues it binds most

PHE 12, LEU 12, MET 12, TRP 12, VAL 12, CYS 12, GLU 12, GLY 12, HIS 12, ILE 12 (residue and the binding sites it lines).

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