Ligand · T76
T76 · (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1H,5H-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone
T76, (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1H,5H-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone (C25 H33 Cl N4 O5, 505.0 g/mol), in the MolNFT structures on GenesisL1…
- Component
- T76
- Formula
- C25 H33 Cl N4 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
T76 in 2 structures; the first of them:
- 1NT1 · thrombin in complex with selective macrocyclic inhibitor · T76 A247 · binds HIS57, TYR60A, TRP60D, GLU97A, LEU99, ILE174, ASP189, ALA190 and 13 more
- 1NT1 · Thrombin in complex with selective macrocyclic inhibitor · T76 A247 · binds HIS57, TYR60A, TRP60D, GLU97A, LEU99, ILE174, ASP189, ALA190 and 13 more
Residues it binds most
GLU 2, GLY 2, CYS 2, SER 2, TRP 2, TYR 2, ALA 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).
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