Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00032505
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 |
ITL | (3alpha,5alpha,8alpha)-3-[(N,N- bis{2-[bis(carboxymethyl)amino]ethyl}- L-gamma-glutamyl)amino]cholan-24- oic acid | A | 2K62 | 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 | |
UZ9 | (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)- 10,13-DIMETHYL-3-OXOHEXADECAHYDRO- 1H-CYCLOPENTA[A]PHENANTHREN-17- YL]PENTANOYL}AMINO)HEXANOIC ACID | A,B | 1UZ9 | 0.76 | |
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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
| 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 | 0.71 | |
CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 2PUI | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | C | 1O91 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B,C,D | 1XU9 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 3CZR | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 3CIX | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 2PUN | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B,C,D,E,F, G,H | 1IRJ | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 1GR3 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 2OQO | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 1VK5 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 2PUP | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 2OLC | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B,C,D,E,F | 1HV5 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 3CIW | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 2PUL | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B,C,D | 1XU7 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B | 1EX4 | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A,B,D | 1F6A | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 1XJI | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 2Q3T | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 1PUC | 0.7 | |
| CPS | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]- 1-PROPANESULFONATE | A | 2PU8 | 0.7 | |
CHO | GLYCOCHENODEOXYCHOLIC ACID | A,B | 1FMC | 0.78 | |
| CHO | GLYCOCHENODEOXYCHOLIC ACID | A,B | 1AHI | 0.78 | |
| CHO | GLYCOCHENODEOXYCHOLIC ACID | A | 2B04 | 0.78 | |
AR9 | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7- dimethyl-3,15-dioxo-1,4-diazacyclopentadecan- 5-yl]-4-hydroxy-2-methylbutanamide | A,B,C | 3DV1 | 0.73 | |
CPQ | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | A | 2REW | 0.74 | |
| CPQ | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | A | 1IMX | 0.74 | |
| CPQ | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | A | 1I7G | 0.74 | |
GCH | GLYCOCHOLIC ACID | A | 2B00 | 0.78 | |
| GCH | GLYCOCHOLIC ACID | A | 1EIO | 0.78 | |