Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02227269
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 |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.79 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.71 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.76 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
L15![]() | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.7 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.77 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.76 | ![]() |
DCU![]() | A,B | 1J07 | 0.71 | ![]() | |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.72 | ![]() |
DRG![]() | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3- YLAMINE | A | 1P4F | 0.71 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.74 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.7 | ![]() |
CEL![]() | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.73 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.73 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.73 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.73 | ![]() |
GVG![]() | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.71 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.71 | ![]() |