Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03504080
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 | |
TES | TESTOSTERONE | A | 1JTV | 0.72 | |
TES | TESTOSTERONE | A | 2Q7L | 0.72 | |
TES | TESTOSTERONE | A | 2Q7I | 0.72 | |
TES | TESTOSTERONE | A,B | 1J96 | 0.72 | |
TES | TESTOSTERONE | A | 2Q7K | 0.72 | |
TES | TESTOSTERONE | A,B | 1Q13 | 0.72 | |
TES | TESTOSTERONE | H | 1I9J | 0.72 | |
TES | TESTOSTERONE | A,B | 1AFS | 0.72 | |
TES | TESTOSTERONE | H | 1VPO | 0.72 | |
TES | TESTOSTERONE | A | 2Q7J | 0.72 | |
TES | TESTOSTERONE | A,B | 3BUR | 0.72 | |
TES | TESTOSTERONE | A | 2AM9 | 0.72 | |
17H | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE | A | 2AMB | 0.75 | |
B2S | (3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one | A | 3B2S | 0.71 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.71 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.71 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.71 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.78 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.7 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.7 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.7 | |
803 | LOVASTATIN | A,B | 1CQP | 0.8 | |
0MA | maslinic acid | A | 2QN2 | 0.71 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.75 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.75 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.72 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.72 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.72 | |
HEQ | 3-[18-(4-HYDROXY-2,6,6-TRIMETHYL- CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL- OCTADECA-1,3,5,7,9,11,13,15, 17- NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX- 2-ENONE | A,B | 1M98 | 0.71 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.74 | |
114 | COMPACTIN | A,B,C,D | 1HW8 | 0.76 | |
LVA | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID | A,B | 1T02 | 0.76 | |
RGC | REIDISPONGIOLIDE C | A | 2ASP | 0.71 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1E3G | 0.75 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A,B | 1E3K | 0.75 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 2AO6 | 0.75 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1XOW | 0.75 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1XQ3 | 0.75 | |
MVB | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL | A,B,C | 1YA8 | 0.81 | |
NTH | SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER | A,B | 1BUQ | 0.71 | |
20E | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.71 |