Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03918936
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 |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | A,B,C,D | 2APH | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | A,P | 1TWQ | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | A | 1D0K | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | S | 9LYZ | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | E,S | 148L | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | D,K | 3CYQ | 0.73 | ![]() |
AMU![]() | BETA-N-ACETYLMURAMIC ACID | U | 2AIZ | 0.73 | ![]() |
074![]() | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.7 | ![]() |
76V![]() | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE | A | 2DCB | 0.77 | ![]() |
7GP![]() | ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE | A | 2F3S | 0.73 | ![]() |
AMV![]() | METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE | A | 2J8G | 0.72 | ![]() |
AMV![]() | METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE | A | 2J8F | 0.72 | ![]() |
AMN![]() | 9-DEOXY-9-AMINO-2-O-METHYL-5-N- ACETYL-ALPHA-D-NEURAMINIC ACID | A,B,C,D,E,F | 1HGJ | 0.75 | ![]() |
ATI![]() | N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID | A | 1Y0Y | 0.71 | ![]() |
233![]() | [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-2-YLCARBAMOYL)- PENTYL]-CARBAMIC ACID METHYL ESTER | D,E,F,G,H | 1MD2 | 0.71 | ![]() |
59A![]() | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCINE | A | 2DC8 | 0.72 | ![]() |
75V![]() | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE | A | 2DCA | 0.75 | ![]() |
2G0![]() | (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)- 3,4,5-trihydroxy-6-methyltetrahydro- 2H-pyran-2-yl]acetyl}amino)hexanoyl]- N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine- 2-carboxamide | A,B,C,D | 3DCQ | 0.74 | ![]() |
CRA![]() | 1-DEOXY-1-METHOXYCARBAMIDO-BETA- D-GLUCO-2-HEPTULOPYRANOSONAMIDE | A | 1FS4 | 0.77 | ![]() |
CRA![]() | 1-DEOXY-1-METHOXYCARBAMIDO-BETA- D-GLUCO-2-HEPTULOPYRANOSONAMIDE | A | 1B4D | 0.77 | ![]() |
ANA![]() | 4-O-ACETYL-ALPHA-2-OMETHYL-5-N- ACETYL-ALPHA-D-NEURAMINIC ACID | A,B,C,D,E,F | 1HGI | 0.74 | ![]() |
042![]() | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE | A | 2DC7 | 0.78 | ![]() |
6GP![]() | METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE | A | 2F3Q | 0.72 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
CR6![]() | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO- 2-HEPTULOPYRANOSONAMIDE | A | 1P4H | 0.75 | ![]() |
CR6![]() | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO- 2-HEPTULOPYRANOSONAMIDE | A | 1FU8 | 0.75 | ![]() |
ABW![]() | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID | A | 1XOG | 0.75 | ![]() |
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 | 0.7 | ![]() |
5FE![]() | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2- (5,5,5-TRIFLUORO-3-HYDROXY-4-{3- METHYL-2-[3-METHYL-2-(3-METHYL- BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}- PENTANOYLAMINO)-PROPIONYLAMINO]- PENTANOIC ACID METHYL ESTER | A,B | 1XE5 | 0.7 | ![]() |