Project Summary 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE

Molecule information

Bioactive Conformational Ensemble ID	BAC0010606
Ligand ID	1UN
PDB ID	1OHR
Experiment Type	X-RAY DIFFRACTION
Resolution	2.1 Å
Subset(s)	Overall Benchmark

Molecule properties

Smiles

[C@@H]12[C@@H](CCCC1)C[C@H](N(C2)C[C@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)O)C(=O)NC(C)(C)C

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Enable / Disable Hydrogens

2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide (1UN) Summary