Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01202790
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
632 | 2-(5-BENZYLAMINO-2-METHYLSULFANYL- 6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO- 1-(THIAZOLE-2-CARBONYL)-BUTYL]- ACETAMIDE | A | 1ZTJ | 0.73 | |
339 | (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)- N-((S)-1-((S)-5-GUANIDINO-1-OXO- 1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)- 3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE | A | 1ZOM | 0.72 | |
698 | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)- 2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE- 2,4-DICARBOXYLIC ACID | A,B | 2JC1 | 0.75 | |
RIT | RITONAVIR | A,B | 2B60 | 0.71 | |
RIT | RITONAVIR | B,D | 1N49 | 0.71 | |
RIT | RITONAVIR | A | 1RL8 | 0.71 | |
RIT | RITONAVIR | B | 1SH9 | 0.71 | |
RIT | RITONAVIR | B | 1HXW | 0.71 | |
62A | 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN- 1-YL)-N-[4-GUANIDINO-1-(THIAZOLE- 2-CARBONYL)-BUTYL]-ACETAMIDE | A | 1ZTK | 0.71 |