Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727216
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 |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.73 | |
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 | 0.74 | |
074 | [PROPYLAMINO-3-HYDROXY-BUTAN-1,4- DIONYL]-ISOLEUCYL-PROLINE | A | 1QDQ | 0.72 | |
G28 | 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | A | 2QWJ | 0.71 | |
G28 | 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | A | 2QWG | 0.71 | |
LY5 | (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy- 4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline- 3-carboxylic acid | A,B,C,D | 2QS4 | 0.7 | |
S80 | N1-HYDROXY-2-(3-HYDROXY-PROPYL)- 3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)- 2-OXO-AZEPAN-3-YL]-SUCCINAMIDE | A,B | 1BIW | 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 | |
EP2 | methyl N-[(2S)-4-{[(1S)-1-{[(2S)- 2-carboxypyrrolidin-1-yl]carbonyl}- 3-methylbutyl]amino}-2-hydroxy- 4-oxobutanoyl]-L-leucylglycylglycinate | B | 1SP4 | 0.73 | |
CLY | CLINDAMYCIN | 0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z | 1YJN | 0.71 | |
CLY | CLINDAMYCIN | A | 1JZX | 0.71 | |
RO4 | [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL- BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER | A | 2TCL | 0.71 | |
BB2 | ACTINONIN | A,B,C,D | 3G5K | 0.77 | |
BB2 | ACTINONIN | A,B,C | 1LRU | 0.77 | |
BB2 | ACTINONIN | A,B | 2OKL | 0.77 | |
BB2 | ACTINONIN | A | 2OS1 | 0.77 | |
BB2 | ACTINONIN | A,B,C | 1G2A | 0.77 | |
BB2 | ACTINONIN | A | 1Q1Y | 0.77 | |
BB2 | ACTINONIN | A,B,C,D,E,F, G,H | 1SZZ | 0.77 | |
BB2 | ACTINONIN | A | 1LQY | 0.77 | |
BB2 | ACTINONIN | A | 2OS3 | 0.77 | |
BB2 | ACTINONIN | A | 1LRY | 0.77 | |
BB2 | ACTINONIN | A,B | 1IX1 | 0.77 | |
BB2 | ACTINONIN | A | 1WS1 | 0.77 | |
ITL | (3alpha,5alpha,8alpha)-3-[(N,N- bis{2-[bis(carboxymethyl)amino]ethyl}- L-gamma-glutamyl)amino]cholan-24- oic acid | A | 2K62 | 0.73 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.73 | |
ABX | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]- 4-(METHOXYCARBONYL)PROLINE | A | 1XOE | 0.79 | |
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 | 0.72 | |
RPH | 6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDE | H,I | 1A2C | 0.72 | |
74M | METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC9 | 0.7 | |
OIC | OCTAHYDROINDOLE-2-CARBOXYLIC ACID | B,C | 3BV9 | 0.79 | |
OIC | OCTAHYDROINDOLE-2-CARBOXYLIC ACID | A | 1BDK | 0.79 | |
REY | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANINE | A | 1IKI | 0.71 |