Ligand · 44I

44I · 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide

44I, 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide (C27 H36 Cl N5 O4 S, 562.1 g/mol), in the MolNFT structures on GenesisL1…

Component: 44I
Formula: C27 H36 Cl N5 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

44I in 2 structures; the first of them:

4Y7B · Factor Xa complex with GTC000441 · 44I A302 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more
4Y7B · Factor xa complex with GTC000441 · 44I A302 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TYR 2, ALA 2, ASP 2, GLN 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

CA · Calcium ion

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