Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02985841
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 |
VPR | 2-PROPYLPENTANAMIDE | A,B | 2CJP | 0.72 | |
VPR | 2-PROPYLPENTANAMIDE | A,B | 1NU3 | 0.72 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDB | 0.7 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDA | 0.7 | |
TCO | TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE | A | 1Q6K | 0.71 | |
1AD | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)- 5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]- 1-CYCLOPENTYL-2-OXOETHANAMINE | A | 2GBG | 0.72 | |
C1R | 4-PIPERIDINEBUTYRATE | A | 2FX4 | 0.79 | |
C1R | 4-PIPERIDINEBUTYRATE | A,B,C,D | 2FWW | 0.79 | |
RHS | 3-(CARBOXYAMIDE(2-CARBOXYAMIDE- 2-TERTBUTYLETHYL))PENTAN | A | 1JLD | 0.75 | |
KCQ | (3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN- 2-ONE | A,I | 2Z3E | 0.72 | |
LDM | 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE | A | 1OKC | 0.72 | |
ICC | azepan-2-one | A,B | 2ZUK | 0.72 | |
RIN | 3-AMINO-AZACYCLOTRIDECAN-2-ONE | A,B | 1KBC | 0.74 | |
277 | N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)- 3-FLUOROPYRROLIDIN-1-YL]-1-METHYL- 3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE | A,B | 2OPH | 0.73 |