Ligand · 3I7

3I7 · 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium

3I7, 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium (C19 H21 N4 O2 +1, 337.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: 3I7
Formula: C19 H21 N4 O2 +1
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3I7 in 2 structures; the first of them:

4D2T · Structure of MELK in complex with inhibitors · 3I7 A1334 · binds ILE17, ALA23, VAL25, LEU27, ALA38, LYS40, GLU57, CYS70 and 9 more
4D2T · Structure of melk in complex with inhibitors · 3I7 A1334 · binds ILE17, ALA23, VAL25, LEU27, ALA38, LYS40, GLU57, CYS70 and 9 more

Residues it binds most

LEU 8, CYS 8, GLU 8, ILE 8, ALA 8, LYS 8, PRO 8, TYR 8, VAL 8, ASP 4 (residue and the binding sites it lines).

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