Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254968
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 |
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 | 0.75 |  |
GR3 | 3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID | B,D | 1AWH | 0.7 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.8 | |
| AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.8 | |
| AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.8 | |
| AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.8 | |
| AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.8 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.79 | |
1CA | DESOXYCORTICOSTERONE | A,B | 1Y9R | 0.77 | |
| 1CA | DESOXYCORTICOSTERONE | A,B,C | 2ABI | 0.77 | |
| 1CA | DESOXYCORTICOSTERONE | A | 2Q3Y | 0.77 | |
| 1CA | DESOXYCORTICOSTERONE | A | 2AA7 | 0.77 | |
20E | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.73 | |
HYF | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL- 1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)- 6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON- 3-ENE-2,9-DIONE | A | 1M13 | 0.71 | |
C0R | CORTICOSTERONE | A | 2A3I | 0.79 | |
| C0R | CORTICOSTERONE | A,B | 1Y5R | 0.79 | |
DL7 | (5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid | A | 3GYU | 0.71 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.8 | |
| FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.8 | |
| FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.8 | |
17H | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE | A | 2AMB | 0.72 | |
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 | |
E4H | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL- 4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC- 9-ENE-2,8-DIONE | A,B | 2HFK | 0.71 | |
DL4 | (14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid | A | 3GYT | 0.72 | |
PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EAU | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB3 | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB4 | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 2AAX | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 1H61 | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 3CMF | 0.71 | |
| PDN | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 2Q1V | 0.71 | |
0MA | maslinic acid | A | 2QN2 | 0.71 | |
R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1E3G | 0.72 | |
| R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A,B | 1E3K | 0.72 | |
| R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 2AO6 | 0.72 | |
| R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1XOW | 0.72 | |
| R18 | (17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE | A | 1XQ3 | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.73 | |
| P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.73 | |
| P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.73 | |
SIH | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.72 | |
DEX | DEXAMETHASONE | A,D | 1M2Z | 0.73 | |
| DEX | DEXAMETHASONE | A,B,C,D | 1P93 | 0.73 | |
VTQ | RRR-ALPHA-TOCOPHERYLQUINONE | A,C,E | 1OLM | 0.72 | |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.75 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.71 | |
AS4 | ALDOSTERONE | A | 2AA2 | 0.76 | |
| AS4 | ALDOSTERONE | A | 2Q1H | 0.76 | |
NDR | (14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one | A,B | 1SQN | 0.79 | |
| NDR | (14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one | A,B | 2W8Y | 0.79 | |
ZK5 | 9ALPHA-FLUOROCORTISOL | A | 1GS4 | 0.75 | |
NOG | 13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE | A | 1LHV | 0.79 | |
| NOG | 13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE | A,B | 3D90 | 0.79 | |
HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A,B | 2VDY | 0.77 | |
| HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A | 2V95 | 0.77 | |
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 | |
AXT | ASTAXANTHIN | A,B | 1GKA | 0.73 | |
TES | TESTOSTERONE | A | 1JTV | 0.8 | |
| TES | TESTOSTERONE | A | 2Q7L | 0.8 | |
| TES | TESTOSTERONE | A | 2Q7I | 0.8 | |
| TES | TESTOSTERONE | A,B | 1J96 | 0.8 | |
| TES | TESTOSTERONE | A | 2Q7K | 0.8 | |
| TES | TESTOSTERONE | A,B | 1Q13 | 0.8 | |
| TES | TESTOSTERONE | H | 1I9J | 0.8 | |
| TES | TESTOSTERONE | A,B | 1AFS | 0.8 | |
| TES | TESTOSTERONE | H | 1VPO | 0.8 | |
| TES | TESTOSTERONE | A | 2Q7J | 0.8 | |
| TES | TESTOSTERONE | A,B | 3BUR | 0.8 | |
| TES | TESTOSTERONE | A | 2AM9 | 0.8 | |