Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03462996
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 |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.75 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.75 | |
BB2 | ACTINONIN | A,B,C,D | 3G5K | 0.71 | |
BB2 | ACTINONIN | A,B,C | 1LRU | 0.71 | |
BB2 | ACTINONIN | A,B | 2OKL | 0.71 | |
BB2 | ACTINONIN | A | 2OS1 | 0.71 | |
BB2 | ACTINONIN | A,B,C | 1G2A | 0.71 | |
BB2 | ACTINONIN | A | 1Q1Y | 0.71 | |
BB2 | ACTINONIN | A,B,C,D,E,F, G,H | 1SZZ | 0.71 | |
BB2 | ACTINONIN | A | 1LQY | 0.71 | |
BB2 | ACTINONIN | A | 2OS3 | 0.71 | |
BB2 | ACTINONIN | A | 1LRY | 0.71 | |
BB2 | ACTINONIN | A,B | 1IX1 | 0.71 | |
BB2 | ACTINONIN | A | 1WS1 | 0.71 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.71 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHA | 0.71 | |
C6L | N-hexanoyl-L-homoserine | A | 3DHB | 0.71 | |
RO4 | [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL- BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER | A | 2TCL | 0.7 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.78 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.74 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1S6Z | 0.71 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1Z1P | 0.71 | |
CR0 | [2-(1-AMINO-2-HYDROXYPROPYL)-2- HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO- 1H-IMIDAZOL-1-YL]ACETALDEHYDE | A | 1Z1Q | 0.71 | |
ATI | N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID | A | 1Y0Y | 0.73 | |
EP2 | methyl N-[(2S)-4-{[(1S)-1-{[(2S)- 2-carboxypyrrolidin-1-yl]carbonyl}- 3-methylbutyl]amino}-2-hydroxy- 4-oxobutanoyl]-L-leucylglycylglycinate | B | 1SP4 | 0.74 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 3HY7 | 0.7 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A,B | 2JIH | 0.7 | |
097 | (2S,3R)-N~4~-[(1S)-2,2-dimethyl- 1-(methylcarbamoyl)propyl]-N~1~,2- dihydroxy-3-(2-methylpropyl)butanediamide | A | 1R55 | 0.7 | |
0AG | N-(ethoxycarbonyl)-L-leucine | I,J | 1PSA | 0.77 | |
LBY | N~6~-(TERT-BUTOXYCARBONYL)-L-LYSINE | A | 2ZIN | 0.7 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.76 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.76 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.76 | |
74M | METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC9 | 0.71 | |
CCL | N~6~-[(CYCLOPENTYLOXY)CARBONYL]- D-LYSINE | A | 2Q7G | 0.7 | |
TRL | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO- PYRROLIDINE-1-CARBONYL]-2-METHYL- PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | A,B | 1N1L | 0.72 | |
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 | 0.73 | |
C99 | {(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]- 2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN- 1-YL}ACETIC ACID | A | 2HCG | 0.74 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 3EMY | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 2H6T | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1LS5 | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1SME | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,C | 1W6I | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1XDH | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 2QZX | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A | 1IZE | 0.7 | |
IHN | N-(3-methylbutanoyl)-L-valyl-N- [(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)- 2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)- 1-methyl-2-oxoethyl]amino}-2-hydroxy- 1-(2-methylpropyl)-4-oxobutyl]- L-valinamide | A,B | 1M43 | 0.7 | |
BAA | (TERT-BUTYLOXYCARBONYL)-ALANYL- ALANYL-AMINE | A | 1ELG | 0.7 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B80 | 0.76 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B7V | 0.76 | |
SJ1 | N-(ISOBUTOXYCARBONYL)-D-SERYL-N- ((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-L-ALANINAMIDE | U | 1W10 | 0.72 | |
5FP | 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 | A,B | 1XE6 | 0.71 |