Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187592
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 |
DTX![]() | DIGITOXIGENIN | A | 1LNM | 0.71 | ![]() |
JB1![]() | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)- 1-[(2R,3S)-3-(2-hydroxyethyl)heptan- 2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro- 1H-inden-4-ylidene]ethylidene]- 4-methylidene-cyclohexane-1,3-diol | A | 2ZXM | 0.75 | ![]() |
COV![]() | (1S,3R,5Z,7E,14beta,17alpha)-17- [(2S,4S)-4-(2-hydroxy-2-methylpropyl)- 2-methyltetrahydrofuran-2-yl]-9,10- secoandrosta-5,7,10-triene-1,3- diol | A | 3CS4 | 0.7 | ![]() |
DOG![]() | DIGOXIGENIN | A | 1LKE | 0.71 | ![]() |
BIV![]() | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)- TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY- 4-METHYLPENTYL)-, (1A,3B,5Z,7E) | A | 2HCD | 0.72 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.73 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.73 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.73 | ![]() |
CLR![]() | CHOLESTEROL | A,B | 2ZXE | 0.72 | ![]() |
CLR![]() | CHOLESTEROL | A | 1N83 | 0.72 | ![]() |
CLR![]() | CHOLESTEROL | A | 2RH1 | 0.72 | ![]() |
CLR![]() | CHOLESTEROL | A | 1LRI | 0.72 | ![]() |
CLR![]() | CHOLESTEROL | A | 1ZHY | 0.72 | ![]() |
CLR![]() | CHOLESTEROL | A | 3D4S | 0.72 | ![]() |
D2V![]() | (3S,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraen-3-ol | A,B | 3CZH | 0.71 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.73 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.73 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.73 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.73 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.73 | ![]() |
JC1![]() | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)- 1-[(2S,3S)-3-(2-hydroxyethyl)heptan- 2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro- 1H-inden-4-ylidene]ethylidene]- 4-methylidene-cyclohexane-1,3-diol | A | 2ZXN | 0.75 | ![]() |
0CO![]() | (1S,3R,5Z,7E,14beta,17alpha,23R)- 23-(2-hydroxy-2-methylpropyl)-20,24- epoxy-9,10-secochola-5,7,10-triene- 1,3-diol | A | 3CS6 | 0.7 | ![]() |
8PG![]() | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.72 | ![]() |
HCR![]() | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.77 | ![]() |
EB1![]() | SEOCALCITOL | A | 1S0Z | 0.72 | ![]() |
C33![]() | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.74 | ![]() |
AFB![]() | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,B,E | 1R8Q | 0.71 | ![]() |
AFB![]() | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A | 1RE0 | 0.71 | ![]() |
AFB![]() | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,E | 1S9D | 0.71 | ![]() |
HC3![]() | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.73 | ![]() |
HC2![]() | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.73 | ![]() |
3ON![]() | (3R)-3-HYDROXY-8'-APOCAROTENOL | A,B,C,D | 2BIW | 0.71 | ![]() |
1PL![]() | (1S,3aS,5aR,8aS)-1,7,7-trimethyl- 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene- 4-carboxylic acid | A | 2RDS | 0.74 | ![]() |
1PL![]() | (1S,3aS,5aR,8aS)-1,7,7-trimethyl- 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene- 4-carboxylic acid | A | 2RDN | 0.74 | ![]() |