Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012408
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 |
PXY | PARA-XYLENE | A | 187L | 0.78 | |
PXY | PARA-XYLENE | A | 225L | 0.78 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.76 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.89 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.71 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.71 | |
ABN | BENZYLAMINE | A | 1UTN | 0.71 | |
ABN | BENZYLAMINE | A | 1N6X | 0.71 | |
ABN | BENZYLAMINE | A | 2BZA | 0.71 | |
ABN | BENZYLAMINE | A | 2EUS | 0.71 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.71 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.71 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.78 | |
DEN | INDENE | A | 183L | 0.72 | |
260 | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.71 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.7 | |
MBN | TOLUENE | A,B | 3D7O | 0.81 | |
MBN | TOLUENE | A,B | 1R1X | 0.81 | |
MBN | TOLUENE | A,B | 1JLX | 0.81 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.81 | |
MBN | TOLUENE | A,B | 2VRL | 0.81 | |
MBN | TOLUENE | A,I | 2Z3E | 0.81 | |
MBN | TOLUENE | A,B | 1YZI | 0.81 | |
MBN | TOLUENE | A,B | 2DN1 | 0.81 | |
MBN | TOLUENE | A,B | 3EN1 | 0.81 | |
PIH | IODOPHENYL | A | 1UO5 | 0.77 | |
PIH | IODOPHENYL | A | 3DNA | 0.77 | |
PIH | IODOPHENYL | A | 1F9O | 0.77 | |
PIH | IODOPHENYL | A,B | 1UO4 | 0.77 | |
PIH | IODOPHENYL | A | 3DN4 | 0.77 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.76 | |
BNZ | BENZENE | A | 1L83 | 0.72 | |
BNZ | BENZENE | A | 1CP4 | 0.72 | |
BNZ | BENZENE | A,B,C,D | 1XXJ | 0.72 | |
BNZ | BENZENE | B | 1SWI | 0.72 | |
BNZ | BENZENE | A | 181L | 0.72 | |
BNZ | BENZENE | A | 223L | 0.72 | |
BNZ | BENZENE | A | 3DMX | 0.72 | |
BNZ | BENZENE | A | 2Z9G | 0.72 | |
BNZ | BENZENE | A | 220L | 0.72 | |
BNZ | BENZENE | A | 227L | 0.72 | |
BNZ | BENZENE | A,B | 1A7Z | 0.72 | |
BNZ | BENZENE | A | 1L84 | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.72 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.8 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.72 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.72 | |
PA0 | Phenylarsine oxide | A | 3E3Z | 0.7 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.76 | |
OXE | ORTHO-XYLENE | A | 188L | 0.76 | |
PHG | PHENYLMERCURY | A | 1CZS | 0.72 | |
PYL | PHENYLETHANE | C | 1B07 | 0.78 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.78 | |
PYL | PHENYLETHANE | A | 1NHB | 0.78 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.87 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.78 |