Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250339
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 |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.72 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.71 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.74 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.74 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.73 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.76 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.81 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.76 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.76 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.76 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.7 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.73 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.73 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.73 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.7 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.7 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.7 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.7 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.7 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.73 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.76 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.74 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.74 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.86 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.7 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.7 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.73 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.75 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.76 | ![]() |
BDB![]() | A,B | 1KE3 | 0.71 | ![]() | |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.71 | ![]() |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.72 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.72 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.76 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B | 1PNM | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1S2N | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H18 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H17 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2CBG | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1SUP | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1V6C | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WPR | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1AUR | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1KLT | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2GKO | 0.75 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.75 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.73 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.73 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.78 | ![]() |