Ligand · 39W

39W · (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide

39W, (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c…

Component: 39W
Formula: C37 H45 F N6 O7 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

39W in 2 structures; the first of them:

4U01 · HCV NS3/4A serine protease in complex with 6570 · 39W A301 · binds GLN41, SER42, PHE43, VAL55, TYR56, HIS57, GLY58, VAL78 and 17 more
4U01 · HCV NS3/4A serine protease in complex with 6570 · 39W A301 · binds GLN41, SER42, PHE43, VAL55, TYR56, HIS57, GLY58, VAL78 and 17 more

Residues it binds most

ASP 18, SER 18, VAL 18, GLN 18, ALA 18, GLY 18, PHE 18, TYR 18, ARG 18, CYS 18 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
CL · Chloride ion

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