Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878646
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 |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.81 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.81 | ![]() |
PBB![]() | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.73 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.8 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.72 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.8 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | ![]() |
STF![]() | (5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]- 1,3-THIAZOL-4-ONE | A | 2EXG | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B | 1PNM | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1S2N | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H18 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H17 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2CBG | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1SUP | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1V6C | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WPR | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1AUR | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1KLT | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2GKO | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.73 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.74 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.74 | ![]() |