Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081695
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 |
GTY | L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE | A | 1U88 | 0.72 | |
SLR | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy- 2-methylpropyl]-4-methyl-5-oxo- D-proline | K,Y | 3DY3 | 0.83 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.71 | |
DWZ | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin- 3-yl]sulfanyl}-2-[(1S,2R)-1-formyl- 2-hydroxypropyl]-3-methyl-3,4-dihydro- 2H-pyrrole-5-carboxylic acid | A | 3DWZ | 0.74 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A,B | 1H8Y | 0.76 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A | 2ZD8 | 0.76 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A,B,C,D | 3BFG | 0.76 | |
AFJ | (2R,4S,5S)-N-butyl-4-hydroxy-2,7- dimethyl-5-{[N-(4-methylpentanoyl)- L-methionyl]amino}octanamide | A,B,C | 3DUY | 0.75 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.73 | |
ABX | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 4-(METHOXYCARBONYL)PROLINE | A | 1XOE | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 3EMY | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 2H6T | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1LS5 | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1SME | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,C | 1W6I | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1XDH | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 2QZX | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 1IZE | 0.72 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1M43 | 0.72 | |
ALP | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5- DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1TEM | 0.7 | |
HJ3 | (2R,4S)-2-[(1R)-1-{[(6S)-6-amino- 6-carboxyhexanoyl]amino}-2-oxoethyl]- 5,5-dimethyl-1,3-thiazolidine-4- carboxylic acid | A | 3BEB | 0.75 | |
A14 | (1S,4S,5S,7R)-7-{[(5S)-5-AMINO- 5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL- 6-OXO-2-THIABICYCLO[3.2.0]HEPTANE- 4-CARBOXYLIC ACID | A | 2JB4 | 0.76 | |
GSM | L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE | A,B,C,D | 2AB6 | 0.71 | |
SLA | (3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy- 2-methylpropyl]-4-methyl-5-oxo- D-proline | H,K,V,Y | 3DY4 | 0.83 | |
ECQ | (3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN- 2-ONE | A,I | 2Z3D | 0.72 | |
HAG | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO- FURAN-2-OL | A,B | 1B48 | 0.72 | |
LAS | N-acetyl-S-({(2R,3S,4R)-3-hydroxy- 2-[(1S)-1-hydroxy-2-methylpropyl]- 4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine | A,B | 3DPM | 1 | |
AUA | A,B,C | 1YM2 | 0.74 | ||
GTX | S-HEXYLGLUTATHIONE | A,B | 1K3Y | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1AGS | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1PN9 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1Q4J | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2IMK | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 4GSS | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C | 1GWC | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 2C3Q | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 1TU8 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2GLR | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2OA7 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,C | 2AAW | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1VF2 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A | 1M9A | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 17GS | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1K0A | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2R3X | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1GSU | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2C80 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2R6K | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1PGT | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2J9H | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1K3L | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1GNW | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 1BH5 | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1YDK | 0.73 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 9GSS | 0.73 | |
AHE | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)- 2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]- BUTYRIC ACID | A | 3BHM | 0.72 | |
AHE | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)- 2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]- BUTYRIC ACID | A,B | 1MC5 | 0.72 |