Ligand · A1AJB
A1AJB · (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide
A1AJB, (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide (C43 H58 F N5 O3, 712.0 g/mol), in the MolNFT structures on…
- Component
- A1AJB
- Formula
- C43 H58 F N5 O3
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1AJB in 1 structure; the first of them:
- 9B97 · Crystal structure of the human PAD2 protein bound to small molecule · A1AJB A702 · binds PHE435, PRO436, LEU437, SER438, GLN539, GLU540, TYR543, MET575 and 1 more
Residues it binds most
GLN 1, GLU 1, HIS 1, LEU 1, MET 1, PHE 1, PRO 1, SER 1, TYR 1 (residue and the binding sites it lines).
Found with
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