Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02457963
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 |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.73 |  |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.73 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.7 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.74 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.71 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.7 | |
| PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.7 | |
| PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.7 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.72 | |
| LZ1 | 1H-indazole | A | 2VTA | 0.72 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.76 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.76 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.76 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.74 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.7 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.75 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.73 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.73 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.73 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.72 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.75 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.77 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.75 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | |