Ligand · IBH

IBH · (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide

IBH, (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide (C16 H14 F2 N4 O2 S2, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: IBH
Formula: C16 H14 F2 N4 O2 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

IBH in 2 structures; the first of them:

4BQR · Mtb InhA complex with Methyl-thiazole compound 11 · IBH A1271 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, TYR158 and 7 more
4BQR · Complex with methyl-thiazole compound 11 · IBH A1271 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, TYR158 and 7 more

Residues it binds most

MET 8, PHE 8, GLY 8, LYS 8, TYR 8, ALA 6, GLN 6, PRO 6, THR 4, ILE 2 (residue and the binding sites it lines).

Found with

NAD · Nicotinamide-adenine-dinucleotide

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