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Ligand · DUE

DUE · (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid

DUE, (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid (C26 H28 N6 O6 S2, 584.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB…

Component
DUE
Formula
C26 H28 N6 O6 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

DUE in 2 structures; the first of them:

  • 6FMC · NEUROPILIN1-B1 domain in complex with EG01377, 0.9 ångström structure · DUE A501 · binds TYR297, TRP301, THR316, ASP320, SER346, GLU348, THR349, LYS351 and 3 more
  • 6FMF · Neuropilin-1 B1 domain in complex with EG01377; 2.8 ångström structure · DUE A501 · binds TYR297, SER298, THR299, ASN300, TRP301, THR316, ASP320, SER346 and 6 more

Residues it binds most

THR 2, TYR 2, SER 2, ASP 2, GLU 2, GLY 2, ILE 2, LYS 2, TRP 2, ASN 1 (residue and the binding sites it lines).

Found with

  • TFA · trifluoroacetic acid

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