Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02142025
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 |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | ![]() |
GGC![]() | 1-MENAPHTHYL GLUTATHIONE CONJUGATE | A,B | 3LJR | 0.72 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.72 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.72 | ![]() |
RRT![]() | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.75 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2GST | 0.7 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSW | 0.7 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSV | 0.7 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A | 1B4P | 0.7 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSX | 0.7 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSU | 0.7 | ![]() |
OAP![]() | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.73 | ![]() |
OIR![]() | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.73 | ![]() |
TIN![]() | A,B | 1N94 | 0.75 | ![]() | |
SBD![]() | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.72 | ![]() |
AO1![]() | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.75 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 1MTC | 0.7 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 5FWG | 0.7 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2PGT | 0.7 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3FYG | 0.7 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3GST | 0.7 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.71 | ![]() |
G23![]() | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.74 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.73 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.73 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | ![]() |
SM4![]() | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.75 | ![]() |
TIO![]() | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.7 | ![]() |
SBL![]() | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.72 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.7 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.71 | ![]() |