Ligand · Z1I

Z1I · (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide

Z1I, (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide (C21 H31 Cl F N5 O2, 440.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: Z1I
Formula: C21 H31 Cl F N5 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

Z1I in 1 structure; the first of them:

8GD1 · Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092 · Z1I A511 · binds TRP112, VAL255, SER256, THR257, ASP368, GLU370, THR375, PHE376 and 12 more

Residues it binds most

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

Found with

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

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