Ligand · A1IBE

A1IBE · ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide

A1IBE, ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide (C9 H13 F N2 O3 S, 248.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: A1IBE
Formula: C9 H13 F N2 O3 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1IBE in 1 structure; the first of them:

9FA6 · Gcase in complex with small molecule inhibitor 1 · A1IBE A605 · binds ASP166, PHE167, TRP218, ASN273, GLU274, PHE285, HIS350, TYR352 and 7 more

Residues it binds most

PHE 2, GLU 2, ASN 1, HIS 2, PRO 1, TRP 1, TYR 2, ARG 1, ASP 1, CYS 1 (residue and the binding sites it lines).

Found with

A1IBG · ~{N}-[(2~{R})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide
K · Potassium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
SO4 · Sulfate ion

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