Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463056
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 |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.7 | |
REY | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANINE | A | 1IKI | 0.73 | |
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 | 0.71 | |
ABX | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 4-(METHOXYCARBONYL)PROLINE | A | 1XOE | 1 | |
OIC | OCTAHYDROINDOLE-2-CARBOXYLIC ACID | B,C | 3BV9 | 0.72 | |
OIC | OCTAHYDROINDOLE-2-CARBOXYLIC ACID | A | 1BDK | 0.72 | |
SLR | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy- 2-methylpropyl]-4-methyl-5-oxo- D-proline | K,Y | 3DY3 | 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 | 0.76 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 2BJS | 0.71 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1QJE | 0.71 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1BK0 | 0.71 | |
ACV | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE | A | 1BLZ | 0.71 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B | 2J9P | 0.71 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B,C,D | 2VGK | 0.71 | |
ITL | (3alpha,5alpha,8alpha)-3-[(N,N- bis{2-[bis(carboxymethyl)amino]ethyl}- L-gamma-glutamyl)amino]cholan-24- oic acid | A | 2K62 | 0.7 | |
2Z9 | N-acetyl-L-alpha-aspartyl-L-alpha- glutamyl-N-[(1R)-2-carboxy-1-formylethyl]- L-valinamide | A,B | 3H1P | 0.7 | |
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 | 0.8 | |
FEB | N~2~-[(3R)-3-hydroxydodecanoyl]- L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)- 3-methylbutyl]-L-glutamamide | 2,H,K,N,V,Y | 3D29 | 0.73 | |
REX | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANYL-D-ALANINE | A | 1IKG | 0.72 | |
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 | 0.72 | |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.71 | |
CYV | ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT- BUTOXYCARBONYL)-L-SERYL]AMINO}- 6-METHYL-2-(3-METHYLBUT-2-EN-1- YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)- 2-OXOPYRROLIDIN-3-YL]PENTANOATE | A | 2QIQ | 0.7 | |
SLA | (3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy- 2-methylpropyl]-4-methyl-5-oxo- D-proline | H,K,V,Y | 3DY4 | 0.71 | |
SSC | (2S,5S)-5-CARBOXYMETHYLPROLINE | A,B,C,D | 1Q19 | 0.72 | |
S80 | N1-HYDROXY-2-(3-HYDROXY-PROPYL)- 3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)- 2-OXO-AZEPAN-3-YL]-SUCCINAMIDE | A,B | 1BIW | 0.7 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.74 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
BB2 | ACTINONIN | A,B,C,D | 3G5K | 0.74 | |
BB2 | ACTINONIN | A,B,C | 1LRU | 0.74 | |
BB2 | ACTINONIN | A,B | 2OKL | 0.74 | |
BB2 | ACTINONIN | A | 2OS1 | 0.74 | |
BB2 | ACTINONIN | A,B,C | 1G2A | 0.74 | |
BB2 | ACTINONIN | A | 1Q1Y | 0.74 | |
BB2 | ACTINONIN | A,B,C,D,E,F, G,H | 1SZZ | 0.74 | |
BB2 | ACTINONIN | A | 1LQY | 0.74 | |
BB2 | ACTINONIN | A | 2OS3 | 0.74 | |
BB2 | ACTINONIN | A | 1LRY | 0.74 | |
BB2 | ACTINONIN | A,B | 1IX1 | 0.74 | |
BB2 | ACTINONIN | A | 1WS1 | 0.74 | |
ABW | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID | A | 1XOG | 0.73 | |
52A | (2R,4R)-4-aminopyrrolidine-2,4- dicarboxylic acid | A,B | 2E4Y | 0.74 |