Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03919258
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 |
LUX | (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'- DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'- OCTADECAHYDRO-BETA,BETA-CAROTENE- 3,3'-DIOL | A,B,C | 2BHW | 0.71 | |
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 | 0.8 | |
EB1 | SEOCALCITOL | A | 1S0Z | 0.79 | |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A | 1S0X | 0.86 | |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A | 2Q9F | 0.86 | |
C3S | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | A,B,C | 2HKA | 0.86 | |
ERG | ERGOSTEROL | A | 1BXM | 0.79 | |
ERG | ERGOSTEROL | A | 1ZHZ | 0.79 | |
ERG | ERGOSTEROL | A,B | 2AIB | 0.79 | |
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 | 0.74 | |
C33 | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAM | 0.79 | |
CLR | CHOLESTEROL | A,B | 2ZXE | 0.77 | |
CLR | CHOLESTEROL | A | 1N83 | 0.77 | |
CLR | CHOLESTEROL | A | 2RH1 | 0.77 | |
CLR | CHOLESTEROL | A | 1LRI | 0.77 | |
CLR | CHOLESTEROL | A | 1ZHY | 0.77 | |
CLR | CHOLESTEROL | A | 3D4S | 0.77 | |
KH1 | 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)- ETHYL]-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE}-ETHYLIDENE)-4-METHYLENE- CYCLOHEXANE-1,3-DIOL | A | 1IE8 | 0.77 | |
C3O | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3 | A | 2HAS | 0.75 | |
LAN | LANOSTEROL | A | 1W6K | 0.7 | |
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 | 0.8 | |
HC3 | 25-HYDROXYCHOLESTEROL | A | 1ZHX | 0.77 | |
HC2 | 20-HYDROXYCHOLESTEROL | A | 1ZHW | 0.77 | |
CO1 | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1- METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 3-OL | A,B | 1P8D | 0.73 | |
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 | 0.79 | |
LUT | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO- BETA,BETA-CAROTENE-3,3'-DIOL | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.72 | |
HCR | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 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 | 0.74 | |
D2V | (3S,5Z,7E,22E)-9,10-secoergosta- 5,7,10,22-tetraen-3-ol | A,B | 3CZH | 0.86 |