Ligand · EIE

EIE · Ethyl 8-[(azanylidene-$L^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-A][1, 4]benzodiazepine-3-carboxylate

EIE, Ethyl 8-[(azanylidene-$L^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-A][1, 4]benzodiazepine-3-carboxylate (C15 H14 N6 O3, 326.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries).…

Component: EIE
Formula: C15 H14 N6 O3
Class: ligand
Structures: 3
PDB entries: 2

Binding sites

EIE in 3 structures; the first of them:

7QNE · Cryo-EM structure of human full-length synaptic alpha1beta3gamma2 GABA(A)R in complex… · EIE D502 · binds ASP56, MET57, TYR58, PHE77, ALA79, MET130, THR142, PHE100 and 10 more
8BHB · GABA-A receptor a5 homomer - a5V3 - RO154513 · EIE A502 · binds PHE103, HIS105, PHE160, GLY161, SER162, TYR163, ILE206, THR208 and 12 more
7QNE · Cryo-EM structure of human full-length synaptic ALPHA1BETA3GAMMA2 GABA(A)R in complex… · EIE D502 · binds MET57, TYR58, PHE77, ALA79, THR142, PHE100, HIS102, GLY158 and 7 more

Residues it binds most

PHE 7, TYR 7, THR 7, SER 7, ILE 5, MET 7, ALA 7, GLY 7, HIS 7, ASP 6 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
D10 · Decane
PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
BMA · beta-D-mannopyranose
MAN · alpha-D-mannopyranose
CL · Chloride ion
OCT · N-octane

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