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Ligand · 5BI

5BI · methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside

5BI, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside (C23 H22 F3 N O10, 529.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
5BI
Formula
C23 H22 F3 N O10
Class
ligand
Structures
2
PDB entries
1

Binding sites

5BI in 2 structures; the first of them:

  • 7RH0 · Crystal structure of human galectin-3 CRD in complex with Methyl… · 5BI A303 · binds ARG144, HIS158, ASN160, ARG162, ASN164, GLU165, VAL172, ASN174 and 2 more
  • 7RH0 · Crystal structure of human galectin-3 crd in complex with methyl 2-O… · 5BI A303 · binds ARG144, HIS158, ASN160, ARG162, ASN164, GLU165, ASN174, TRP181 and 1 more

Residues it binds most

ASN 2, ARG 2, GLU 2, HIS 2, TRP 2, VAL 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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