Ligand · 31I
31I · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one
31I, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one (C27 H30 N6 O3, 486.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- 31I
- Formula
- C27 H30 N6 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
31I in 2 structures; the first of them:
- 4ELE · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 31I A203 · binds MET6, VAL7, ALA8, ASN20, LEU21, GLU28, LEU29, GLN30 and 12 more
- 4ELE · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 31I A203 · binds MET6, VAL7, ALA8, ASN20, LEU21, GLU28, LEU29, GLN30 and 12 more
Residues it binds most
LEU 16, ASN 16, ALA 16, ARG 16, VAL 16, GLN 16, GLU 16, ILE 16, LYS 16, MET 16 (residue and the binding sites it lines).
Found with
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