GL1X · GenesisL1 explorer

Ligand · 44K

44K · N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

44K, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide (C21 H31 N9 O4 S2, 537.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
44K
Formula
C21 H31 N9 O4 S2
Class
ligand
Structures
1
PDB entries
1

Binding sites

44K in 1 structure; the first of them:

  • 4XTV · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36… · 44K A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 21 more

Residues it binds most

GLY 2, ARG 2, ASN 2, ASP 2, ALA 2, GLN 2, ILE 2, LEU 2, SER 2, VAL 2 (residue and the binding sites it lines).

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