Ligand · XKR

XKR · N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide

XKR, N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide (C18 H17 Cl F2 N4 O3 S, 442.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: XKR
Formula: C18 H17 Cl F2 N4 O3 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

XKR in 1 structure; the first of them:

8FA0 · Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an… · XKR A509 · binds VAL255, SER256, THR257, ASP368, GLU370, SER375, PHE376, ASN377 and 8 more

Residues it binds most

ASN 2, MET 2, VAL 2, GLY 2, ILE 1, PHE 1, SER 1, ALA 1, ASP 1, GLN 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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