Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02846846
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 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.73 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.74 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.74 | ![]() |
GB5![]() | (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2ILP | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.75 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.75 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.8 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.73 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.76 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.76 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.76 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.74 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.76 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.77 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.73 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.73 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.73 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.72 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.74 | ![]() |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.75 | ![]() |
HBX![]() | benzaldehyde | A,B | 3GDN | 0.77 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.76 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.71 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.79 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.79 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.79 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.79 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.79 | ![]() |