Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727068
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 |
AFJ | (2R,4S,5S)-N-butyl-4-hydroxy-2,7- dimethyl-5-{[N-(4-methylpentanoyl)- L-methionyl]amino}octanamide | A,B,C | 3DUY | 0.7 | |
GSM | L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE | A,B,C,D | 2AB6 | 0.72 | |
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 | 0.77 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1K3Y | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1AGS | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1PN9 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1Q4J | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2IMK | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 4GSS | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C | 1GWC | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 2C3Q | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 1TU8 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2GLR | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2OA7 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,C | 2AAW | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1VF2 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A | 1M9A | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 17GS | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1K0A | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2R3X | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1GSU | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2C80 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2R6K | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1PGT | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 2J9H | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1K3L | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1GNW | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B,C,D | 1BH5 | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 1YDK | 0.76 | |
GTX | S-HEXYLGLUTATHIONE | A,B | 9GSS | 0.76 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 2BJS | 0.72 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1QJE | 0.72 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1BK0 | 0.72 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1BLZ | 0.72 | |
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 | 0.76 | |
IP1 | ISOPENICILLIN N | A | 1QJE | 0.74 | |
ACC | N-[N-[2-AMINO-6-OXO-HEXANOIC ACID- 6-YL]CYSTEINYL]-S-METHYLCYSTEINE | A | 1QIQ | 0.71 | |
GTY | L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE | A | 1U88 | 0.75 | |
HEL | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)- 7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3- DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1PWG | 0.78 | |
HEL | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)- 7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3- DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1PW1 | 0.78 | |
EPM | N-PALMITOYL-L-METHIONINE | A,B | 1ZO9 | 0.74 | |
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 | 0.77 |