Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024718
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 |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.74 | |
PYL | PHENYLETHANE | C | 1B07 | 0.8 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.8 | |
PYL | PHENYLETHANE | A | 1NHB | 0.8 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.77 | |
DEN | INDENE | A | 183L | 0.74 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.85 | |
MBN | TOLUENE | A,B | 3D7O | 0.77 | |
MBN | TOLUENE | A,B | 1R1X | 0.77 | |
MBN | TOLUENE | A,B | 1JLX | 0.77 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.77 | |
MBN | TOLUENE | A,B | 2VRL | 0.77 | |
MBN | TOLUENE | A,I | 2Z3E | 0.77 | |
MBN | TOLUENE | A,B | 1YZI | 0.77 | |
MBN | TOLUENE | A,B | 2DN1 | 0.77 | |
MBN | TOLUENE | A,B | 3EN1 | 0.77 | |
PXY | PARA-XYLENE | A | 187L | 0.77 | |
PXY | PARA-XYLENE | A | 225L | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.73 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.8 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.72 | |
MFG | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.77 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.77 | |
OXE | ORTHO-XYLENE | A | 188L | 0.77 | |
F5B | 1,2,3,4,5-pentafluorobenzene | A | 3DN0 | 0.71 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.75 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.77 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.8 | |
BDB | A,B | 1KE3 | 0.71 | ||
260 | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.78 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.74 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.71 |