Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03316031
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 |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDB | 0.73 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDA | 0.73 | |
SP7 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}acetamide | A,B | 3CNP | 0.77 | |
SP5 | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide | A,B | 3CND | 0.71 | |
BUM | 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE | A,B | 1GKC | 0.73 | |
BUM | 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE | A,B | 1GKD | 0.73 | |
CLE | LEUCINE AMIDE | D | 1D5Z | 0.75 | |
CLE | LEUCINE AMIDE | C,D,E,F | 1QZ0 | 0.75 | |
CLE | LEUCINE AMIDE | C,D,E,F | 1XXV | 0.75 | |
CLE | LEUCINE AMIDE | A,D | 1D5M | 0.75 | |
CLE | LEUCINE AMIDE | C,D,E,F | 1XXP | 0.75 | |
RHS | 3-(CARBOXYAMIDE(2-CARBOXYAMIDE- 2-TERTBUTYLETHYL))PENTAN | A | 1JLD | 0.85 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.75 | |
KCQ | (3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN- 2-ONE | A,I | 2Z3E | 0.72 | |
A3M | 2-AMINO-3-METHYL-1-PYRROLIDIN-1- YL-BUTAN-1-ONE | A,B | 1N1M | 0.75 | |
ICC | azepan-2-one | A,B | 2ZUK | 0.72 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.76 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.76 | |
RIN | 3-AMINO-AZACYCLOTRIDECAN-2-ONE | A,B | 1KBC | 0.74 | |
MNV | N-METHYL-C-AMINO VALINE | C | 1CWJ | 0.72 |