Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02512138
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 |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.71 | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.73 | |
NLX | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY- 17-METHYL-6-OXO-17-(2-PROPENYL)- MORPHINANIUM | A,B,C,D,E,F, G,H,I,J,K,L | 1MX9 | 0.75 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.72 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.73 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.71 | |
OBE | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | H | 1RIV | 0.71 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
CM4 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.72 | |
REN | (S)-reticuline | A | 3FWA | 0.73 | |
REN | (S)-reticuline | A | 3D2D | 0.73 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.73 | |
CM3 | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 0.73 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.72 | |
HMT | (3beta)-O~3~-[(2R)-2,6-dihydroxy- 2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | 0,1,2,3,9,A, B,C,F,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3G6E | 0.73 | |
AKY | A,B,C,D | 2IPI | 0.72 | ||
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.73 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.73 | |
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.72 | |
HTQ | HOMOTROPINE | A,B,C | 2DQZ | 0.73 | |
HTQ | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.73 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.71 | |
MAX | MATAIRESINOL | A | 2BGM | 0.73 |