Ligand · H8S
H8S · N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl) amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
H8S, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl) amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide (C28 H42 N4 O3 S, 514.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- H8S
- Formula
- C28 H42 N4 O3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
H8S in 4 structures; the first of them:
- 6XOL · DCN1 bound to DI-1548 · H8S A1301 · binds ILE1083, ILE1086, PHE1089, CYS1090, PRO1097, ALA1098, SER1099, VAL1102 and 15 more
- 6XOO · DCN1 bound to DI-1859 · H8S A1301 · binds ILE1086, PHE1089, CYS1090, PRO1097, ALA1098, SER1099, VAL1102, LEU1103 and 14 more
- 6XOL · DCN1 bound to di-1548 · H8S A1301 · binds ILE1086, PHE1089, PRO1097, ALA1098, SER1099, VAL1102, LEU1103, ILE1105 and 9 more
- 6XOO · DCN1 bound to di-1859 · H8S A1301 · binds ILE1086, PHE1089, PRO1097, ALA1098, SER1099, VAL1102, LEU1103, ALA1106 and 8 more
Residues it binds most
ALA 4, PHE 4, ILE 4, LEU 4, CYS 4, GLN 4, GLU 4, PRO 4, SER 4, TYR 4 (residue and the binding sites it lines).
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