Ligand · 560

560 · 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine

560, 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (C24 H25 N5 O2, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with…

Component: 560
Formula: C24 H25 N5 O2
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

560 in 3 structures; the first of them:

7REB · E. COLI dihydrofolate reductase complexed with 5-(3-(7-(4… · 560 A208 · binds ILE5, ALA6, ALA7, GLU17, ASP27, LEU28, PHE31, LYS32 and 7 more
7RGJ · DFRA1 complexed with NADPH and 5-(3-(7-(4-(AMINOMETHYL)PHENYL)… · 560 B203 · binds MET6, VAL7, ALA8, ILE21, GLU28, GLN29, PHE32, LYS33 and 7 more
7RGK · DFRA5 complexed with NADPH and 5-(3-(7-(4-(AMINOMETHYL)PHENYL)… · 560 A204 · binds MET6, ALA7, ALA8, GLU28, GLN29, PHE32, THR47, SER50 and 5 more

Residues it binds most

SER 4, ALA 4, MET 3, ILE 3, THR 4, GLU 4, LEU 3, PHE 4, TYR 4, GLN 3 (residue and the binding sites it lines).

Found with

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
SO4 · Sulfate ion
8MU · 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
CA · Calcium ion

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