Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01469279
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 |
BPR | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)- 1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)- 5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN- 2-YL]-L-PROLINAMIDE | A,B,C,D | 2AJD | 0.74 | |
1AD | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)- 5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]- 1-CYCLOPENTYL-2-OXOETHANAMINE | A | 2GBG | 0.74 | |
ZRG | N~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithinamide | A,B | 3CHC | 0.75 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.71 | |
AIA | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL- 2-OXOETHANAMINE | A | 2GBF | 0.72 | |
CPX | N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}- 3-METHYLBUTANOYL)-2-(1-FORMYL-1- CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE | A,B | 1RTL | 0.74 | |
A3M | 2-AMINO-3-METHYL-1-PYRROLIDIN-1- YL-BUTAN-1-ONE | A,B | 1N1M | 0.74 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.82 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.82 |