Ligand · X80

X80 · 5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide

X80, 5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide (C27 H34 Cl F2 N3 O4 S, 570.1 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component: X80
Formula: C27 H34 Cl F2 N3 O4 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

X80 in 1 structure; the first of them:

8F0S · Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 · X80 A1605 · binds TYR1203, TRP1204, ASN1206, VAL1207, ILE1210, ILE1243, SER1244, VAL1246 and 10 more

Residues it binds most

ILE 1, ARG 1, ALA 1, VAL 1, ASN 1, ASP 1, GLY 1, MET 1, SER 1, TRP 1 (residue and the binding sites it lines).

Found with

PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Y01 · Cholesterol hemisuccinate
BMA · beta-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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