Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00756223
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 |
TNB | S-(2,3,6-TRINITROPHENYL)CYSTEINE | A,B,C,D,E,F, G,H | 1AQX | 0.7 |  |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.75 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.77 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.79 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.75 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 5GST | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1HNA | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1VF3 | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C,D | 1HNC | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C | 1XWK | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 18GS | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1GSQ | 0.71 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1HNB | 0.71 | |
TNS | A,B,L | 2G2R | 0.7 | | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.71 | |
GNB | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | A,B,C,D | 1QIP | 0.71 | |
NC1 | NITROCEFIN ACYL-SERINE | A,B | 1MWS | 0.71 | |
| NC1 | NITROCEFIN ACYL-SERINE | A | 2UWX | 0.71 | |
GIP | S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE | A,B | 1QIN | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.77 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.77 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.73 | |