Ligand · XKW

XKW · (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide

XKW, (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide (C17 H16 F3 N5 O2 S, 411.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: XKW
Formula: C17 H16 F3 N5 O2 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

XKW in 1 structure; the first of them:

8F9Z · Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an… · XKW A507 · binds TRP112, VAL255, SER256, THR257, ASP368, GLU370, ILE371, SER375 and 9 more

Residues it binds most

ASN 1, GLY 1, ILE 1, PHE 1, SER 1, TRP 1, ASP 1, GLU 1, MET 1, THR 1 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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