Ligand · S1S
S1S · 2-(4-((9S,10S,14S,Z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid
S1S, 2-(4-((9S,10S,14S,Z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid (C41 H46 N4 O10, 754.8 g/mol), in the MolNFT structures on…
- Component
- S1S
- Formula
- C41 H46 N4 O10
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
S1S in 4 structures; the first of them:
- 2AOA · Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the… · S1S A201 · binds ARG67, ARG86, GLU87, SER88, GLU89, SER90, SER96, GLN106 and 5 more
- 2AOB · Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the… · S1S A1201 · binds ARG67, ARG86, GLU87, SER88, GLU89, SER90, SER96, GLN106 and 5 more
- 2AOA · Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the… · S1S A201 · binds ARG67, ARG86, GLU87, SER88, GLU89, SER90, SER96, GLN106 and 5 more
- 2AOB · Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the… · S1S A1201 · binds ARG67, ARG86, GLU87, SER88, GLU89, SER90, SER96, GLN106 and 5 more
Residues it binds most
PHE 26, ARG 18, LEU 20, SER 20, LYS 24, GLU 20, HIS 16, TRP 16, VAL 10, ASP 12 (residue and the binding sites it lines).
Found with
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol
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