Ligand · A1AWR

A1AWR · 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one

A1AWR, 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one (C29 H34 Cl F4 N7 O2, 624.1 g/mol), in the MolNFT…

Component: A1AWR
Formula: C29 H34 Cl F4 N7 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1AWR in 1 structure; the first of them:

9C76 · LRRK2 Roc domain RP (Ras-pocket) complexed to Divarasib · A1AWR A207 · binds MET11, VAL13, GLY14, CYS16, GLY17, LYS20, TYR88, HIS106 and 14 more

Residues it binds most

TYR 2, GLY 2, HIS 2, MET 2, PHE 2, ALA 2, ARG 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

GDP · Guanosine-5'-diphosphate
MG · Magnesium ion
BR · Bromide ion
F · Fluoride ion
IOD · Iodide ion

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