Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03769034
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 |
LAS | N-acetyl-S-({(2R,3S,4R)-3-hydroxy- 2-[(1S)-1-hydroxy-2-methylpropyl]- 4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine | A,B | 3DPM | 0.82 | |
IP1 | ISOPENICILLIN N | A | 1QJE | 0.72 | |
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 | |
APV | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)- 3-HYDROXYMETHYL-7-OXO-4-THIA-1- AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID | A | 1ODN | 0.71 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A,B | 1H8Y | 0.88 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A | 2ZD8 | 0.88 | |
MER | (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN- 3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]- 1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID | A,B,C,D | 3BFG | 0.88 | |
ABX | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 4-(METHOXYCARBONYL)PROLINE | A | 1XOE | 0.74 | |
HJ3 | (2R,4S)-2-[(1R)-1-{[(6S)-6-amino- 6-carboxyhexanoyl]amino}-2-oxoethyl]- 5,5-dimethyl-1,3-thiazolidine-4- carboxylic acid | A | 3BEB | 0.76 | |
A14 | (1S,4S,5S,7R)-7-{[(5S)-5-AMINO- 5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL- 6-OXO-2-THIABICYCLO[3.2.0]HEPTANE- 4-CARBOXYLIC ACID | A | 2JB4 | 0.73 | |
DWZ | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin- 3-yl]sulfanyl}-2-[(1S,2R)-1-formyl- 2-hydroxypropyl]-3-methyl-3,4-dihydro- 2H-pyrrole-5-carboxylic acid | A | 3DWZ | 0.86 | |
HAG | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO- FURAN-2-OL | A,B | 1B48 | 0.71 | |
CLY | CLINDAMYCIN | 0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z | 1YJN | 0.73 | |
CLY | CLINDAMYCIN | A | 1JZX | 0.73 | |
FEB | N~2~-[(3R)-3-hydroxydodecanoyl]- L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)- 3-methylbutyl]-L-glutamamide | 2,H,K,N,V,Y | 3D29 | 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 | 3EMY | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
AFJ | (2R,4S,5S)-N-butyl-4-hydroxy-2,7- dimethyl-5-{[N-(4-methylpentanoyl)- L-methionyl]amino}octanamide | A,B,C | 3DUY | 0.76 | |
HEL | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)- 7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3- DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1PWG | 0.7 | |
HEL | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)- 7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3- DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1PW1 | 0.7 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.71 | |
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 | 0.72 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.71 | |
AMK | (S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL- 1-((S)-1-{(S)-[(1R,2R)-2-((S)-1- CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]- HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)- ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}- BUTYRIC ACID | A,B,C | 1YM4 | 0.71 | |
AUA | A,B,C | 1YM2 | 0.73 |