Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727680
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 |
AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 1CPU | 0.76 |  |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 1NM9 | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 1MFV | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 1PIG | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | X | 1Z32 | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 1MFU | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 3BLK | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | X | 3BLP | 0.76 | |
| AGL | 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE | A | 3DHP | 0.76 | |
9MR | (3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN- 4-YL BETA-D-GLUCOPYRANOSIDE | A | 3CUF | 0.74 | |
| 9MR | (3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN- 4-YL BETA-D-GLUCOPYRANOSIDE | A,B | 2OYK | 0.74 | |
AM2 | APRAMYCIN | B | 2OE8 | 0.85 | |
| AM2 | APRAMYCIN | A,B | 2OE5 | 0.85 | |
| AM2 | APRAMYCIN | A,B | 1YRJ | 0.85 | |
| AM2 | APRAMYCIN | A,B | 2G5K | 0.85 | |
A16 | 4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)- 2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}- alpha-D-glucopyranosyl)-beta-D- glucopyranose | A,B | 2VR5 | 0.79 | |
CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 1LJN | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 1ZU0 | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 2HRH | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A,B | 1TW5 | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A,H | 2HRG | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | 1 | 2BS7 | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 1C7T | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A,B | 2QT6 | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 1QBB | 0.79 | |
| CBS | DI(N-ACETYL-D-GLUCOSAMINE) | A | 1C7S | 0.79 | |
AIG | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R7Y | 0.8 | |
| AIG | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R7X | 0.8 | |
| AIG | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R81 | 0.8 | |
| AIG | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R7V | 0.8 | |
| AIG | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R80 | 0.8 | |
CNY | 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12- TETRAHYDROXYHEXADECAHYDRO-2H-7,10- EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN- 8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE | A,C,D | 1ZZ5 | 0.89 | |
1GN | 2-DEOXY-2-AMINOGALACTOSE | A,B | 3GAL | 0.81 | |
BDG | O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE | A | 1QD3 | 0.8 | |
| BDG | O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE | B | 1O9M | 0.8 | |
| BDG | O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE | A | 1NEM | 0.8 | |
ABL | 6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL | A,B | 1NAA | 0.82 | |
| ABL | 6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL | A | 2AXR | 0.82 | |
ABD | ACARBOSE DERIVED HEXASACCHARIDE | A | 1QHO | 0.76 | |
2TB | 1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE | A | 2TOB | 0.71 | |
CTO | TRIACETYLCHITOTRIOSE | A,B | 1BB5 | 0.79 | |
| CTO | TRIACETYLCHITOTRIOSE | B | 2H5Z | 0.79 | |
| CTO | TRIACETYLCHITOTRIOSE | A,B,C,D | 2R0H | 0.79 | |
| CTO | TRIACETYLCHITOTRIOSE | A,B,C | 2AH9 | 0.79 | |
AKN | (2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)- 5-AMINO-2-[(3-AMINO-3-DEOXY-ALPHA- D-GLUCOPYRANOSYL)OXY]-4-[(6-AMINO- 6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]- 3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE | A,B | 2G5Q | 0.81 | |
9CS | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3- [(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]- 2-HYDROXYCYCLOHEXYL 2,6-DIAMINO- 2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE | A | 2QIR | 1 | |
AS5 | 2-(acetylamino)-4-O-[2-(acetylamino)- 2-deoxy-alpha-L-gulopyranosyl]- 1,5-anhydro-2-deoxy-D-mannitol | A,B | 2VLC | 0.79 | |
AB9 | (2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)- 5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}- 4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}- 2-HYDROXYBUTANAMIDE | A,D,M,N,Z | 2F4V | 0.77 | |
| AB9 | (2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)- 5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}- 4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}- 2-HYDROXYBUTANAMIDE | B | 2F4T | 0.77 | |
AOG | 4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL | A | 1R82 | 0.77 | |
AB6 | (2R)-4-AMINO-N-((1R,2S,3R,4R,5S)- 5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA- D-GLUCOPYRANOSYL)OXY]-2-{2-[(3- AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)- 2-HYDROXYBUTANAMIDE | B | 2F4U | 0.78 | |
AD7 | octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside | A | 2RJ9 | 0.85 | |
| AD7 | octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside | A | 2RJ4 | 0.85 | |