Ligand · B98
B98 · (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
B98, (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one (C13 H15 N3 O2 S, 277.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- B98
- Formula
- C13 H15 N3 O2 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
B98 in 4 structures; the first of them:
- 3FYK · Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) · B98 X372 · binds LEU70, GLY71, LEU72, GLY73, VAL78, ALA91, LYS93, VAL118 and 10 more
- 3FZ1 · Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2… · B98 A299 · binds ILE10, GLY11, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 7 more
- 3FYK · Crystal structure of a benzthiophene lead bound to mapkap kinase-2 (mk-2) · B98 X372 · binds LEU70, GLY71, LEU72, GLY73, VAL78, ALA91, LYS93, VAL118 and 10 more
- 3FZ1 · Crystal structure of a benzthiophene inhibitor bound to human cyclin- dependent kinase-2… · B98 A299 · binds ILE10, GLY11, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 7 more
Residues it binds most
LEU 4, GLU 4, GLY 4, VAL 4, ALA 4, ASN 4, ASP 4, LYS 4, PHE 2, CYS 2 (residue and the binding sites it lines).
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