Ligand · 5R4
5R4 · 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide
5R4, 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide (C24 H24 Cl N5 O4, 481.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…
- Component
- 5R4
- Formula
- C24 H24 Cl N5 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
5R4 in 4 structures; the first of them:
- 7RKK · Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space… · 5R4 A301 · binds LYS8, TYR11, PHE15, TYR20, TYR24, TYR25, GLY63, SER64 and 23 more
- 7RKL · Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space… · 5R4 A301 · binds LYS8, TYR11, PHE15, TYR20, TYR24, GLY63, SER64, GLY65 and 22 more
- 7RKK · Structure of nicotinamide N-methyltransferase (nnmt) in complex with II399 (C2 space… · 5R4 A301 · binds LYS8, TYR11, PHE15, TYR20, TYR24, GLY63, GLY65, ASP85 and 20 more
- 7RKL · Structure of nicotinamide N-methyltransferase (nnmt) in complex with II399 (P1 space… · 5R4 A301 · binds TYR11, PHE15, TYR20, TYR24, GLY63, GLY65, ASP85, TYR86 and 18 more
Residues it binds most
TYR 12, ASP 12, SER 12, ALA 12, GLY 12, THR 12, CYS 12, ASN 12, LEU 12, PHE 12 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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