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Ligand · BM2

BM2 · S-(R*,R*)]-4-[aminoiminomethyl)amino]-N-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide

BM2, S-(R*,R*)]-4-[aminoiminomethyl)amino]-N-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide (C23 H32 N6 O5 S, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
BM2
Formula
C23 H32 N6 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BM2 in 2 structures; the first of them:

  • 1BMM · Human alpha-thrombin complexed with [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-hydro… · BM2 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 1BMM · Human alpha-thrombin complexed with [S-(R*,R*)]-4-[(aminoiminomethyl)… · BM2 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

GLY 2, GLU 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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