Ligand · XDB

XDB · 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide

XDB, 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide (C25 H28 F4 N6 O3 S2, 600.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component: XDB
Formula: C25 H28 F4 N6 O3 S2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

XDB in 1 structure; the first of them:

7G30 · Crystal Structure of rat Autotaxin in complex with… · XDB A904 · binds LEU78, TYR82, ILE167, SER169, PHE210, LEU213, TYR214, LEU216 and 12 more

Residues it binds most

PHE 1, LEU 1, TRP 1, TYR 1, ALA 1, HIS 1, ILE 1, LYS 1, SER 1 (residue and the binding sites it lines).

Found with

CA · Calcium ion
K · Potassium ion
NA · Sodium ion
ZN · Zinc ion
BMA · beta-D-mannopyranose
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
ACT · Acetate ion

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