Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03094208
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 |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.82 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.7 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.72 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
OSP | SULTHIAME | A | 2Q1Q | 0.73 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.75 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.73 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.73 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
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 | 0.72 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.73 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.76 | |
LJH | N,N'-(iminodiethane-2,1-diyl)bis(4- amino-N-benzylbenzenesulfonamide) | A,B | 3BGC | 0.71 |