Ligand · A1AAF

A1AAF · methyl (1S,2R,3S,4R,5R)-4-{2-[(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate

A1AAF, methyl (1S,2R,3S,4R,5R)-4-{2-[(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate (C20 H18 Cl N5 O4 S, 459.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…

Component: A1AAF
Formula: C20 H18 Cl N5 O4 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1AAF in 1 structure; the first of them:

8VBY · Structure of the human dopamine transporter in complex with beta-CFT, MRS7292 and… · A1AAF A702 · binds LEU80, ALA81, VAL83, TRP84, ARG85, ILE159, LEU280, VAL363 and 14 more

Residues it binds most

VAL 1, ILE 1, LEU 1, ASP 1, PHE 1, ALA 1, ARG 1, GLY 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

42L · methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
D10 · Decane
D12 · Dodecane
HP6 · Heptane
LNK · Pentane
MYS · Pentadecane
Y01 · Cholesterol hemisuccinate
NA · Sodium ion
ZN · Zinc ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
OCT · N-octane

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