Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03082957
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 |
G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A | 2QWH | 0.73 |  |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A | 3CL0 | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A | 2QWK | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A,B,C,D,E,F, G,H | 3CL2 | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A | 2HT8 | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A | 2HT7 | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | B | 2HU0 | 0.73 | |
| G39 | 5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2HU4 | 0.73 | |
UCD | (4S,5R,6R)-6-((2R,3R,4R,5R,6R)- 3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)- TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5- DIHYDROXY-5,6-DIHYDRO-4H-PYRAN- 2-CARBOXYLIC ACID | A,B | 2AHG | 0.8 | |
| UCD | (4S,5R,6R)-6-((2R,3R,4R,5R,6R)- 3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)- TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5- DIHYDROXY-5,6-DIHYDRO-4H-PYRAN- 2-CARBOXYLIC ACID | A | 2D8L | 0.8 | |
DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | H,J,L | 1RV0 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2QWC | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2SIM | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1IVF | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1SLI | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1MS1 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1USR | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B,C,D | 2CEX | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1MS0 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1W8N | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1V3D | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 2F27 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 2F29 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1W0O | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1MZ6 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B,C | 1WCQ | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1NSD | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2VW1 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1E8V | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 2F25 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1Z50 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2VK6 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1MS8 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 3H73 | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1EUS | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1F8B | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2HTW | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1NNB | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1Z4Z | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 2VVZ | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1N1V | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B,C | 1USX | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1Z4W | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A,B | 1VCU | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1N1T | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 2HTR | 0.88 | |
| DAN | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | A | 1Z4V | 0.88 | |
DYM | 6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID | A | 2F13 | 0.73 | |
HS2 | 2-deoxy-4-O-(4-deoxy-alpha-L-threo- hex-4-enopyranuronosyl)-2-{[(1R)- 1-hydroxyethyl]amino}-alpha-D-glucopyranose | A,B,C | 3E80 | 0.76 | |
HTM | 6-(3-HYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID | A | 2F12 | 0.74 | |
49A | 4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO- N-ACETYL-NEURAMINIC ACID | A | 1F8E | 0.92 | |
9AM | 9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL- NEURAMINIC ACID | A | 1F8D | 0.86 | |
BEU | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY- 4-(HYDROXYMETHYL)CYCLOHEX-3-EN- 1-YL]ACETAMIDE | A,B | 2JIW | 0.76 | |
4AM | 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID | A | 1F8C | 0.94 | |
| 4AM | 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID | A | 2QWD | 0.94 | |
ZMR | ZANAMIVIR | A | 2F0Z | 1 | |
| ZMR | ZANAMIVIR | A | 1NNC | 1 | |
| ZMR | ZANAMIVIR | A,B | 3B7E | 1 | |
| ZMR | ZANAMIVIR | A,B | 1V3E | 1 | |
| ZMR | ZANAMIVIR | A,B | 1A4G | 1 | |
| ZMR | ZANAMIVIR | A | 3CKZ | 1 | |
| ZMR | ZANAMIVIR | A | 2HTQ | 1 | |
| ZMR | ZANAMIVIR | A,B,C,D | 2CML | 1 | |
G20 | 4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | A | 2QWI | 0.77 | |
| G20 | 4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | A | 2QWF | 0.77 | |
IEM | 5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY- 6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID | A | 2F11 | 0.73 | |