Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02502089
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 |
PLO![]() | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.79 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.78 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.78 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.78 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.78 | ![]() |
AND![]() | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.78 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.76 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.76 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.76 | ![]() |
8PG![]() | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 1JTV | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7L | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7I | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1J96 | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7K | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1Q13 | 0.76 | ![]() |
TES![]() | TESTOSTERONE | H | 1I9J | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1AFS | 0.76 | ![]() |
TES![]() | TESTOSTERONE | H | 1VPO | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7J | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A,B | 3BUR | 0.76 | ![]() |
TES![]() | TESTOSTERONE | A | 2AM9 | 0.76 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A,B | 1Y9R | 0.75 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A,B,C | 2ABI | 0.75 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A | 2Q3Y | 0.75 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A | 2AA7 | 0.75 | ![]() |
CDZ![]() | 3,5-dihydroxy-4,6,6-tris(3-methylbut- 2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa- 2,4-dien-1-one | A | 2QNV | 0.75 | ![]() |
OXR![]() | 4-OXORETINOL | A,B | 1X8L | 0.75 | ![]() |
PG2![]() | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.74 | ![]() |
CBW![]() | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.74 | ![]() |
20E![]() | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.73 | ![]() |
DL7![]() | (5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid | A | 3GYU | 0.73 | ![]() |
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 | ![]() |
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 | 0.73 | ![]() |
HCR![]() | 7-HYDROXYCHOLESTEROL | A | 1ZHT | 0.73 | ![]() |
VTQ![]() | RRR-ALPHA-TOCOPHERYLQUINONE | A,C,E | 1OLM | 0.72 | ![]() |
C0R![]() | CORTICOSTERONE | A | 2A3I | 0.72 | ![]() |
C0R![]() | CORTICOSTERONE | A,B | 1Y5R | 0.72 | ![]() |
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 | ![]() |
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 | ![]() |
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 | 0.71 | ![]() |
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 | ![]() |
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 | 0.71 | ![]() |
0AS![]() | asiatic acid | A | 2QN1 | 0.71 | ![]() |
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 | ![]() |
DL4![]() | (14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid | A | 3GYT | 0.71 | ![]() |
3ON![]() | (3R)-3-HYDROXY-8'-APOCAROTENOL | A,B,C,D | 2BIW | 0.71 | ![]() |
VDY![]() | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,B | 1J78 | 0.7 | ![]() |
VDY![]() | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL | A,D | 1MZ9 | 0.7 | ![]() |