Project Summary (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

Molecule information

Bioactive Conformational Ensemble ID	BAC0010605
Ligand ID	T76
PDB ID	1NT1
Experiment Type	X-RAY DIFFRACTION
Resolution	2 Å
Subset(s)	Overall Benchmark

Molecule properties

Smiles

c12c(ccc(c1)Cl)OCC(=O)NCCC(=O)N[C@@H](C(=O)N1[C@H](C(=O)NC2)CCC1)C1CCCCC1

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(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) Summary