Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00941559
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 | 0.84 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDB | 0.7 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDA | 0.7 | |
OHM | 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3- YL]DODECANAMIDE | B,H | 2NTF | 0.8 | |
RIN | 3-AMINO-AZACYCLOTRIDECAN-2-ONE | A,B | 1KBC | 0.71 | |
LPD | L-PROLINAMIDE | H,S | 2H9E | 0.79 | |
ALJ | CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR | A,B | 1W1V | 0.74 | |
GIO | CYCLO-(GLYCINE-L-PROLINE) INHIBITOR | A,B | 1W1P | 0.78 | |
CGN | 5-OXO-PYRROLIDINE-2-CARBALDEHYDE | A | 3CAR | 0.75 | |
CGN | 5-OXO-PYRROLIDINE-2-CARBALDEHYDE | A | 1I3U | 0.75 | |
CGN | 5-OXO-PYRROLIDINE-2-CARBALDEHYDE | A | 3CAO | 0.75 | |
SNN | L-3-AMINOSUCCINIMIDE | A,B | 2IMZ | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A,B | 3C03 | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A | 3ESM | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A,B | 2OMK | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A | 1AT5 | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A | 1JBE | 0.7 | |
SNN | L-3-AMINOSUCCINIMIDE | A | 1WL8 | 0.7 | |
ZRG | N~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithinamide | A,B | 3CHC | 0.71 | |
BUJ | (3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate | A,B | 2RCU | 0.7 | |
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 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.72 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.81 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.81 |